1,2-Heptadien-4-ol, 6-methyl-

C8H14O — CID 11615166

IUPAC6-methylhepta-1,2-dien-4-ol
SMILESCC(C)CC(C=C=C)O
InChIInChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h5,7-9H,1,6H2,2-3H3
InChIKeySVHSCTCTNYDDRA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds3

About 1,2-Heptadien-4-ol, 6-methyl-

1,2-Heptadien-4-ol, 6-methyl- (PubChem CID 11615166) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-methylhepta-1,2-dien-4-ol.

Molecular Properties

Compound Name1,2-Heptadien-4-ol, 6-methyl-
PubChem CID11615166
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name6-methylhepta-1,2-dien-4-ol
SMILESCC(C)CC(C=C=C)O
InChIInChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h5,7-9H,1,6H2,2-3H3
InChIKeySVHSCTCTNYDDRA-UHFFFAOYSA-N
XLogP1.50
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-1-hexen-3-ol
CID 5314815
2,4-Dimethyl-1-penten-3-ol
CID 140606
4-Methyl-5-hexen-2-ol
CID 543655
2-Methyl-6-hepten-3-ol
CID 144868
1-Hexen-3-ol, 4-methyl-
CID 12218386
2-Methyl-4-methylidenehex-5-en-3-ol
CID 3801379
2-Methylhexa-4,5-dien-3-ol
CID 10986182
5-Methyl-4-methylidenehexan-3-ol
CID 12036610
Hepta-1,2-dien-4-ol
CID 12644256
2,4-Dimethyl-4,5-hexadien-3-ol
CID 12651498
(2S,4R)-4-methylhex-5-en-2-ol
CID 13280484
(3R)-2,4-dimethylpent-1-en-3-ol
CID 40561649

Frequently Asked Questions

What is the IUPAC name of 1,2-Heptadien-4-ol, 6-methyl-?
The IUPAC name of 1,2-Heptadien-4-ol, 6-methyl- (CID 11615166) is 6-methylhepta-1,2-dien-4-ol.
What is the SMILES notation for 1,2-Heptadien-4-ol, 6-methyl-?
The canonical SMILES for 1,2-Heptadien-4-ol, 6-methyl- is CC(C)CC(C=C=C)O.
What is the InChIKey of 1,2-Heptadien-4-ol, 6-methyl-?
The InChIKey is SVHSCTCTNYDDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-8(9)6-7(2)3/h5,7-9H,1,6H2,2-3H3.
What are the key properties of 1,2-Heptadien-4-ol, 6-methyl-?
1,2-Heptadien-4-ol, 6-methyl- has a molecular weight of 126.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Heptadien-4-ol, 6-methyl- is sourced from PubChem (CID 11615166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).