(2-chloro-3-methylpentyl)cyclopropane

C9H17Cl — CID 130480709

IUPAC(2-chloro-3-methylpentyl)cyclopropane
SMILESCCC(C)C(Cl)CC1CC1
InChIInChI=1S/C9H17Cl/c1-3-7(2)9(10)6-8-4-5-8/h7-9H,3-6H2,1-2H3
InChIKeyHBDLZNOBKTUNDN-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.44
Rot. Bonds4

About (2-chloro-3-methylpentyl)cyclopropane

(2-chloro-3-methylpentyl)cyclopropane (PubChem CID 130480709) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (2-chloro-3-methylpentyl)cyclopropane.

Molecular Properties

Compound Name(2-chloro-3-methylpentyl)cyclopropane
PubChem CID130480709
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(2-chloro-3-methylpentyl)cyclopropane
SMILESCCC(C)C(Cl)CC1CC1
InChIInChI=1S/C9H17Cl/c1-3-7(2)9(10)6-8-4-5-8/h7-9H,3-6H2,1-2H3
InChIKeyHBDLZNOBKTUNDN-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2-chloro-3-methylpentyl)cyclopropane?
The IUPAC name of (2-chloro-3-methylpentyl)cyclopropane (CID 130480709) is (2-chloro-3-methylpentyl)cyclopropane.
What is the SMILES notation for (2-chloro-3-methylpentyl)cyclopropane?
The canonical SMILES for (2-chloro-3-methylpentyl)cyclopropane is CCC(C)C(Cl)CC1CC1.
What is the InChIKey of (2-chloro-3-methylpentyl)cyclopropane?
The InChIKey is HBDLZNOBKTUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-3-7(2)9(10)6-8-4-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of (2-chloro-3-methylpentyl)cyclopropane?
(2-chloro-3-methylpentyl)cyclopropane has a molecular weight of 160.69 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylpentyl)cyclopropane is sourced from PubChem (CID 130480709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).