1-chlorohexan-2-ylcyclopentane

C11H21Cl — CID 112570473

IUPAC1-chlorohexan-2-ylcyclopentane
SMILESCCCCC(CCl)C1CCCC1
InChIInChI=1S/C11H21Cl/c1-2-3-6-11(9-12)10-7-4-5-8-10/h10-11H,2-9H2,1H3
InChIKeyLYDPNRJGGKWFNB-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.22
Rot. Bonds5

About 1-chlorohexan-2-ylcyclopentane

1-chlorohexan-2-ylcyclopentane (PubChem CID 112570473) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-chlorohexan-2-ylcyclopentane.

Molecular Properties

Compound Name1-chlorohexan-2-ylcyclopentane
PubChem CID112570473
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-chlorohexan-2-ylcyclopentane
SMILESCCCCC(CCl)C1CCCC1
InChIInChI=1S/C11H21Cl/c1-2-3-6-11(9-12)10-7-4-5-8-10/h10-11H,2-9H2,1H3
InChIKeyLYDPNRJGGKWFNB-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chlorododecan-2-ylcyclopentane
CID 112570395
undecan-5-ylcyclohexane
CID 524419
hexadecan-8-ylcyclohexane
CID 91510029
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
1-cyclobutylnonan-5-ylcyclobutane
CID 173183497
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cyclopropylpentylcycloheptane
CID 91177068
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613

Frequently Asked Questions

What is the IUPAC name of 1-chlorohexan-2-ylcyclopentane?
The IUPAC name of 1-chlorohexan-2-ylcyclopentane (CID 112570473) is 1-chlorohexan-2-ylcyclopentane.
What is the SMILES notation for 1-chlorohexan-2-ylcyclopentane?
The canonical SMILES for 1-chlorohexan-2-ylcyclopentane is CCCCC(CCl)C1CCCC1.
What is the InChIKey of 1-chlorohexan-2-ylcyclopentane?
The InChIKey is LYDPNRJGGKWFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-2-3-6-11(9-12)10-7-4-5-8-10/h10-11H,2-9H2,1H3.
What are the key properties of 1-chlorohexan-2-ylcyclopentane?
1-chlorohexan-2-ylcyclopentane has a molecular weight of 188.74 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohexan-2-ylcyclopentane is sourced from PubChem (CID 112570473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).