1-chlorododecan-2-ylcyclopentane

C17H33Cl — CID 112570395

IUPAC1-chlorododecan-2-ylcyclopentane
SMILESCCCCCCCCCCC(CCl)C1CCCC1
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-14-17(15-18)16-12-10-11-13-16/h16-17H,2-15H2,1H3
InChIKeyRLXALMWFAGCGQN-UHFFFAOYSA-N
MW272.90 g/mol
LogP6.56
Rot. Bonds11

About 1-chlorododecan-2-ylcyclopentane

1-chlorododecan-2-ylcyclopentane (PubChem CID 112570395) has the molecular formula C17H33Cl and a molecular weight of 272.90 g/mol. Its IUPAC name is 1-chlorododecan-2-ylcyclopentane.

Molecular Properties

Compound Name1-chlorododecan-2-ylcyclopentane
PubChem CID112570395
Molecular FormulaC17H33Cl
Molecular Weight272.90 g/mol
Exact Mass272.23
IUPAC Name1-chlorododecan-2-ylcyclopentane
SMILESCCCCCCCCCCC(CCl)C1CCCC1
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-14-17(15-18)16-12-10-11-13-16/h16-17H,2-15H2,1H3
InChIKeyRLXALMWFAGCGQN-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.90
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chlorododecan-2-ylcyclopentane 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-chlorohexan-2-ylcyclopentane
CID 112570473
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
nonan-3-ylcyclopentane
CID 19893531
2-cyclopentyloctan-1-amine
CID 112569591
1-bromodecan-2-ylcyclopentane
CID 112570528
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
CID 22214511
CID 22214511
1-cycloheptyldecylcycloheptane
CID 20559033

Frequently Asked Questions

What is the IUPAC name of 1-chlorododecan-2-ylcyclopentane?
The IUPAC name of 1-chlorododecan-2-ylcyclopentane (CID 112570395) is 1-chlorododecan-2-ylcyclopentane.
What is the SMILES notation for 1-chlorododecan-2-ylcyclopentane?
The canonical SMILES for 1-chlorododecan-2-ylcyclopentane is CCCCCCCCCCC(CCl)C1CCCC1.
What is the InChIKey of 1-chlorododecan-2-ylcyclopentane?
The InChIKey is RLXALMWFAGCGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-14-17(15-18)16-12-10-11-13-16/h16-17H,2-15H2,1H3.
What are the key properties of 1-chlorododecan-2-ylcyclopentane?
1-chlorododecan-2-ylcyclopentane has a molecular weight of 272.90 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorododecan-2-ylcyclopentane is sourced from PubChem (CID 112570395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).