7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol

C15H22O — CID 70477385

IUPAC7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol
SMILESCC(C=CCCCCO)C1=CC=CC=CC1
InChIInChI=1S/C15H22O/c1-14(10-6-4-5-9-13-16)15-11-7-2-3-8-12-15/h2-3,6-8,10-11,14,16H,4-5,9,12-13H2,1H3
InChIKeyKOZCGKNZXCHDBK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.78
Rot. Bonds6

About 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol

7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol (PubChem CID 70477385) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol.

Molecular Properties

Compound Name7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol
PubChem CID70477385
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol
SMILESCC(C=CCCCCO)C1=CC=CC=CC1
InChIInChI=1S/C15H22O/c1-14(10-6-4-5-9-13-16)15-11-7-2-3-8-12-15/h2-3,6-8,10-11,14,16H,4-5,9,12-13H2,1H3
InChIKeyKOZCGKNZXCHDBK-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-cyclohepta-1,3,5-trien-1-yloct-5-en-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

Related Compounds

1-cyclohepta-1,3,5-trien-1-ylethanethiol
CID 142981242
(Z)-6-methylhept-4-en-1-ol
CID 13494537
7-methyloct-4-ene-1,6-diol
CID 57100736
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
(16R)-icosa-5,14-diene-1,16-diol
CID 91200816
(E)-octadec-6-ene-1,8-diol
CID 10265918
octacos-10-ene-1,12-diol
CID 86172609
(E)-hept-2-ene-1,1-diol
CID 87660901
hexadec-8-ene-1,16-diol
CID 54395986
(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496
(E,5S)-5-phenylhex-3-en-1-ol
CID 162402402
(Z)-oct-5-en-7-yn-1-ol
CID 13293587

Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol?
The IUPAC name of 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol (CID 70477385) is 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol.
What is the SMILES notation for 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol?
The canonical SMILES for 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol is CC(C=CCCCCO)C1=CC=CC=CC1.
What is the InChIKey of 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol?
The InChIKey is KOZCGKNZXCHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-14(10-6-4-5-9-13-16)15-11-7-2-3-8-12-15/h2-3,6-8,10-11,14,16H,4-5,9,12-13H2,1H3.
What are the key properties of 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol?
7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-1,3,5-trien-1-yloct-5-en-1-ol is sourced from PubChem (CID 70477385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).