1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol

C14H24O — CID 572886

IUPAC1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol
SMILESC=C(C)C=CC1C(C)(C)CCCC1(C)O
InChIInChI=1S/C14H24O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h7-8,12,15H,1,6,9-10H2,2-5H3
InChIKeyXZPYVODRIRKFJE-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds2

About 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol

1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol (PubChem CID 572886) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol
PubChem CID572886
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol
SMILESC=C(C)C=CC1C(C)(C)CCCC1(C)O
InChIInChI=1S/C14H24O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h7-8,12,15H,1,6,9-10H2,2-5H3
InChIKeyXZPYVODRIRKFJE-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol?
The IUPAC name of 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol (CID 572886) is 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol is C=C(C)C=CC1C(C)(C)CCCC1(C)O.
What is the InChIKey of 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol?
The InChIKey is XZPYVODRIRKFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)7-8-12-13(3,4)9-6-10-14(12,5)15/h7-8,12,15H,1,6,9-10H2,2-5H3.
What are the key properties of 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol?
1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-ol is sourced from PubChem (CID 572886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).