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

C15H24O — CID 13204614

IUPAC4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1(C)CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-13(3)8-12-14/h5-7,16H,1-2,8-12H2,3-4H3
InChIKeyFWAHRLZAZUKXJI-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds5

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

4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol (PubChem CID 13204614) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
PubChem CID13204614
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1(C)CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-13(3)8-12-14/h5-7,16H,1-2,8-12H2,3-4H3
InChIKeyFWAHRLZAZUKXJI-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The IUPAC name of 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol (CID 13204614) is 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The canonical SMILES for 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C1(C)CC=C(C)CC1.
What is the InChIKey of 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
The InChIKey is FWAHRLZAZUKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-9-15(16,10-6-2)14(4)11-7-13(3)8-12-14/h5-7,16H,1-2,8-12H2,3-4H3.
What are the key properties of 4-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol?
4-(1,4-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-(1,4-dimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 13204614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).