4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol

C15H24O2 — CID 19751857

IUPAC4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC(C)(O)/C=C/C1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)8-7-13-11(2)9-12(16)10-14(13,3)4/h6-8,12,16-17H,1,9-10H2,2-5H3/b8-7+
InChIKeyHXQRIVAUIRBXMR-BQYQJAHWSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds3

About 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol

4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 19751857) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID19751857
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC(C)(O)/C=C/C1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C15H24O2/c1-6-15(5,17)8-7-13-11(2)9-12(16)10-14(13,3)4/h6-8,12,16-17H,1,9-10H2,2-5H3/b8-7+
InChIKeyHXQRIVAUIRBXMR-BQYQJAHWSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The IUPAC name of 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol (CID 19751857) is 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol is C=CC(C)(O)/C=C/C1=C(C)CC(O)CC1(C)C.
What is the InChIKey of 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
The InChIKey is HXQRIVAUIRBXMR-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-15(5,17)8-7-13-11(2)9-12(16)10-14(13,3)4/h6-8,12,16-17H,1,9-10H2,2-5H3/b8-7+.
What are the key properties of 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol?
4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-hydroxy-3-methylpenta-1,4-dienyl]-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 19751857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).