4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol

C17H26O2 — CID 176987638

IUPAC4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol
SMILESCC(C)(O)/C=C/CC(C)(C)/C=C/C1C=CC(O)=CC1
InChIInChI=1S/C17H26O2/c1-16(2,11-5-12-17(3,4)19)13-10-14-6-8-15(18)9-7-14/h5-6,8-10,12-14,18-19H,7,11H2,1-4H3/b12-5+,13-10+
InChIKeyJERSEEDZAQFBRL-SPUCVAIDSA-N
MW262.39 g/mol
LogP4.30
Rot. Bonds5

About 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol

4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol (PubChem CID 176987638) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol
PubChem CID176987638
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol
SMILESCC(C)(O)/C=C/CC(C)(C)/C=C/C1C=CC(O)=CC1
InChIInChI=1S/C17H26O2/c1-16(2,11-5-12-17(3,4)19)13-10-14-6-8-15(18)9-7-14/h5-6,8-10,12-14,18-19H,7,11H2,1-4H3/b12-5+,13-10+
InChIKeyJERSEEDZAQFBRL-SPUCVAIDSA-N
XLogP4.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol (CID 176987638) is 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol is CC(C)(O)/C=C/CC(C)(C)/C=C/C1C=CC(O)=CC1.
What is the InChIKey of 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol?
The InChIKey is JERSEEDZAQFBRL-SPUCVAIDSA-N. The full InChI is InChI=1S/C17H26O2/c1-16(2,11-5-12-17(3,4)19)13-10-14-6-8-15(18)9-7-14/h5-6,8-10,12-14,18-19H,7,11H2,1-4H3/b12-5+,13-10+.
What are the key properties of 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol?
4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,5E)-7-hydroxy-3,3,7-trimethylocta-1,5-dienyl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 176987638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).