1-chloro-3-(1-methoxypropan-2-yl)cyclopentane

C9H17ClO — CID 64515651

IUPAC1-chloro-3-(1-methoxypropan-2-yl)cyclopentane
SMILESCOCC(C)C1CCC(Cl)C1
InChIInChI=1S/C9H17ClO/c1-7(6-11-2)8-3-4-9(10)5-8/h7-9H,3-6H2,1-2H3
InChIKeyPEIAHTDNBJCGNH-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.68
Rot. Bonds3

About 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane

1-chloro-3-(1-methoxypropan-2-yl)cyclopentane (PubChem CID 64515651) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane.

Molecular Properties

Compound Name1-chloro-3-(1-methoxypropan-2-yl)cyclopentane
PubChem CID64515651
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name1-chloro-3-(1-methoxypropan-2-yl)cyclopentane
SMILESCOCC(C)C1CCC(Cl)C1
InChIInChI=1S/C9H17ClO/c1-7(6-11-2)8-3-4-9(10)5-8/h7-9H,3-6H2,1-2H3
InChIKeyPEIAHTDNBJCGNH-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane?
The IUPAC name of 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane (CID 64515651) is 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane.
What is the SMILES notation for 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane?
The canonical SMILES for 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane is COCC(C)C1CCC(Cl)C1.
What is the InChIKey of 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane?
The InChIKey is PEIAHTDNBJCGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-7(6-11-2)8-3-4-9(10)5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane?
1-chloro-3-(1-methoxypropan-2-yl)cyclopentane has a molecular weight of 176.69 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-methoxypropan-2-yl)cyclopentane is sourced from PubChem (CID 64515651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).