1-cyclopenta-1,3-dien-1-yltridecan-1-ol

C18H32O — CID 23569005

IUPAC1-cyclopenta-1,3-dien-1-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1=CC=CC1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h12-14,18-19H,2-11,15-16H2,1H3
InChIKeyORYCEHAIUPAFSB-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.54
Rot. Bonds12

About 1-cyclopenta-1,3-dien-1-yltridecan-1-ol

1-cyclopenta-1,3-dien-1-yltridecan-1-ol (PubChem CID 23569005) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yltridecan-1-ol.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yltridecan-1-ol
PubChem CID23569005
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-cyclopenta-1,3-dien-1-yltridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1=CC=CC1
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h12-14,18-19H,2-11,15-16H2,1H3
InChIKeyORYCEHAIUPAFSB-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopenta-1,3-dien-1-yltridecan-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-[1-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 66772825
methyl 6-(1-hydroxyhexyl)cyclohepta-1,3,5-triene-1-carboxylate
CID 50936901
1-(cyclopenten-1-yl)hexan-1-ol
CID 62078915
1-pyridazin-4-ylnonan-1-ol
CID 105085715
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,6-dimethyl-3-pyridinyl)nonan-1-ol
CID 105085795
(1R)-1-phenyloctan-1-ol
CID 12794259
decane;dodecane-1,1-diol
CID 162011285
nonacosane-14,15-diol
CID 91509633
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yltridecan-1-ol?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yltridecan-1-ol (CID 23569005) is 1-cyclopenta-1,3-dien-1-yltridecan-1-ol.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yltridecan-1-ol?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yltridecan-1-ol is CCCCCCCCCCCCC(O)C1=CC=CC1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yltridecan-1-ol?
The InChIKey is ORYCEHAIUPAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-16-18(19)17-14-12-13-15-17/h12-14,18-19H,2-11,15-16H2,1H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yltridecan-1-ol?
1-cyclopenta-1,3-dien-1-yltridecan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yltridecan-1-ol is sourced from PubChem (CID 23569005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).