4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol

C15H24O — CID 13204613

IUPAC4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1(C)CCC=C(C)C1
InChIInChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-8-13(3)12-14/h5-6,8,16H,1-2,7,9-12H2,3-4H3
InChIKeyCNYXNMLVVPJYAU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds5

About 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol

4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol (PubChem CID 13204613) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
PubChem CID13204613
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1(C)CCC=C(C)C1
InChIInChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-8-13(3)12-14/h5-6,8,16H,1-2,7,9-12H2,3-4H3
InChIKeyCNYXNMLVVPJYAU-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Terpinen-4-ol
CID 11230
(+)-alpha-Terpineol
CID 442501
beta-Bisabolol
CID 12300146
Limonen-4-ol
CID 527428
4-Terpineol, (+)-
CID 2724161
4-Terpineol, (-)-
CID 5325830
Germacradienol
CID 16667385
3,7-Cycloundecadien-1-ol, 1,5,5,8-tetramethyl-, (-)-
CID 14093951
4-Methyl-1-(6-methylhept-5-en-2-yl)cyclohex-3-en-1-ol
CID 27208
epi-beta-Bisabolol
CID 12300148

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol (CID 13204613) is 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C1(C)CCC=C(C)C1.
What is the InChIKey of 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The InChIKey is CNYXNMLVVPJYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-8-13(3)12-14/h5-6,8,16H,1-2,7,9-12H2,3-4H3.
What are the key properties of 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 13204613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).