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2,4,5,5,8a-Pentamethyl-6,7,8,8a-tetrahydro-5H-chromene 2,4,5,5,8a-pent

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摘 要:2,4,5,5,8a-Pentamethyl-6,7,8,8a-tetrahydro-5H-chromene 2,4,5,5,8a-pentamethyl-7,8-dihydro-6H-chromene,Canonical SMILES: CC1=CC(=C2C(CCCC2(O1)C)(C)C)C,InChI: InChI=1/C14H22O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9H,6-8H2,,1-5H3,Molecular Weight2
[Synonyms]
2,4,5,5,8a-Pentamethyl-6,7,8,8a-tetrahydro-5H-chromene
[Structure]
2,4,5,5,8a-Pentamethyl-6,7,8,8a-tetrahydro-5H-chromene 2,4,5,5,8a-pent

[ Properties Computed from Structure]
Molecular Weight206.32388 [g/mol]
Molecular FormulaC14H22O
XLogP3.3
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count0
Exact Mass206.167065
MonoIsotopic Mass206.167065
Topological Polar Surface Area9.2
Heavy Atom Count15
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2,4,5,5,8a-pentamethyl-7,8-dihydro-6H-chromene
Canonical SMILES: CC1=CC(=C2C(CCCC2(O1)C)(C)C)C
InChI: InChI=1/C14H22O/c1-10-9-11(2)15-14(5)8-6-7-13(3,4)12(10)14/h9H,6-8H2,
1-5H3

 
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