(5-chloro-2-methylpent-2-enyl)cyclopropane

C9H15Cl — CID 79604228

IUPAC(5-chloro-2-methylpent-2-enyl)cyclopropane
SMILESCC(=CCCCl)CC1CC1
InChIInChI=1S/C9H15Cl/c1-8(3-2-6-10)7-9-4-5-9/h3,9H,2,4-7H2,1H3
InChIKeyFWDAHOYGYCRHIM-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.36
Rot. Bonds4

About (5-chloro-2-methylpent-2-enyl)cyclopropane

(5-chloro-2-methylpent-2-enyl)cyclopropane (PubChem CID 79604228) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is (5-chloro-2-methylpent-2-enyl)cyclopropane.

Molecular Properties

Compound Name(5-chloro-2-methylpent-2-enyl)cyclopropane
PubChem CID79604228
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name(5-chloro-2-methylpent-2-enyl)cyclopropane
SMILESCC(=CCCCl)CC1CC1
InChIInChI=1S/C9H15Cl/c1-8(3-2-6-10)7-9-4-5-9/h3,9H,2,4-7H2,1H3
InChIKeyFWDAHOYGYCRHIM-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpent-2-enyl)cyclopropane?
The IUPAC name of (5-chloro-2-methylpent-2-enyl)cyclopropane (CID 79604228) is (5-chloro-2-methylpent-2-enyl)cyclopropane.
What is the SMILES notation for (5-chloro-2-methylpent-2-enyl)cyclopropane?
The canonical SMILES for (5-chloro-2-methylpent-2-enyl)cyclopropane is CC(=CCCCl)CC1CC1.
What is the InChIKey of (5-chloro-2-methylpent-2-enyl)cyclopropane?
The InChIKey is FWDAHOYGYCRHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-8(3-2-6-10)7-9-4-5-9/h3,9H,2,4-7H2,1H3.
What are the key properties of (5-chloro-2-methylpent-2-enyl)cyclopropane?
(5-chloro-2-methylpent-2-enyl)cyclopropane has a molecular weight of 158.67 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpent-2-enyl)cyclopropane is sourced from PubChem (CID 79604228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).