3-tridecylcyclopentan-1-ol

C18H36O — CID 67606099

IUPAC3-tridecylcyclopentan-1-ol
SMILESCCCCCCCCCCCCCC1CCC(O)C1
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16-17/h17-19H,2-16H2,1H3
InChIKeyJAMPDKNPSZNAQP-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.85
Rot. Bonds12

About 3-tridecylcyclopentan-1-ol

3-tridecylcyclopentan-1-ol (PubChem CID 67606099) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 3-tridecylcyclopentan-1-ol.

Molecular Properties

Compound Name3-tridecylcyclopentan-1-ol
PubChem CID67606099
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name3-tridecylcyclopentan-1-ol
SMILESCCCCCCCCCCCCCC1CCC(O)C1
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16-17/h17-19H,2-16H2,1H3
InChIKeyJAMPDKNPSZNAQP-UHFFFAOYSA-N
XLogP5.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-tridecylcyclopentan-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

6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 139846520
3-heptylcyclohexan-1-ol
CID 64515801
7-hexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-2-ol
CID 13480019
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
3-[(heptylamino)methyl]cyclopentan-1-ol
CID 106120745
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022
azane;hexylcyclopropane
CID 135322230
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of 3-tridecylcyclopentan-1-ol?
The IUPAC name of 3-tridecylcyclopentan-1-ol (CID 67606099) is 3-tridecylcyclopentan-1-ol.
What is the SMILES notation for 3-tridecylcyclopentan-1-ol?
The canonical SMILES for 3-tridecylcyclopentan-1-ol is CCCCCCCCCCCCCC1CCC(O)C1.
What is the InChIKey of 3-tridecylcyclopentan-1-ol?
The InChIKey is JAMPDKNPSZNAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16-17/h17-19H,2-16H2,1H3.
What are the key properties of 3-tridecylcyclopentan-1-ol?
3-tridecylcyclopentan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.85, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecylcyclopentan-1-ol is sourced from PubChem (CID 67606099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).