1-cycloheptyldecylcycloheptane

C24H46 — CID 20559033

IUPAC1-cycloheptyldecylcycloheptane
SMILESCCCCCCCCCC(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C24H46/c1-2-3-4-5-6-7-16-21-24(22-17-12-8-9-13-18-22)23-19-14-10-11-15-20-23/h22-24H,2-21H2,1H3
InChIKeyHLTDBCNOWBWHSY-UHFFFAOYSA-N
MW334.63 g/mol
LogP8.68
Rot. Bonds10

About 1-cycloheptyldecylcycloheptane

1-cycloheptyldecylcycloheptane (PubChem CID 20559033) has the molecular formula C24H46 and a molecular weight of 334.63 g/mol. Its IUPAC name is 1-cycloheptyldecylcycloheptane.

Molecular Properties

Compound Name1-cycloheptyldecylcycloheptane
PubChem CID20559033
Molecular FormulaC24H46
Molecular Weight334.63 g/mol
Exact Mass334.36
IUPAC Name1-cycloheptyldecylcycloheptane
SMILESCCCCCCCCCC(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C24H46/c1-2-3-4-5-6-7-16-21-24(22-17-12-8-9-13-18-22)23-19-14-10-11-15-20-23/h22-24H,2-21H2,1H3
InChIKeyHLTDBCNOWBWHSY-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cycloheptyldecylcycloheptane 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-cyclohexylheptylcyclohexane
CID 16404
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclopropyloctylcyclopropane
CID 141276542
(5-butoxy-1-cyclooctylpentyl)cyclooctane
CID 57036242
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
1-cycloheptylheptan-1-amine
CID 65399314
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
1-cyclooctylundecan-1-ol
CID 80603651
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyldecylcycloheptane?
The IUPAC name of 1-cycloheptyldecylcycloheptane (CID 20559033) is 1-cycloheptyldecylcycloheptane.
What is the SMILES notation for 1-cycloheptyldecylcycloheptane?
The canonical SMILES for 1-cycloheptyldecylcycloheptane is CCCCCCCCCC(C1CCCCCC1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyldecylcycloheptane?
The InChIKey is HLTDBCNOWBWHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46/c1-2-3-4-5-6-7-16-21-24(22-17-12-8-9-13-18-22)23-19-14-10-11-15-20-23/h22-24H,2-21H2,1H3.
What are the key properties of 1-cycloheptyldecylcycloheptane?
1-cycloheptyldecylcycloheptane has a molecular weight of 334.63 g/mol, XLogP of 8.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyldecylcycloheptane is sourced from PubChem (CID 20559033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).