1-chloro-4-methyl-3-propan-2-ylpent-2-ene

C9H17Cl — CID 14510620

IUPAC1-chloro-4-methyl-3-propan-2-ylpent-2-ene
SMILESCC(C)C(=CCCl)C(C)C
InChIInChI=1S/C9H17Cl/c1-7(2)9(5-6-10)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyXOMNIYOXKSJRLP-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.46
Rot. Bonds3

About 1-chloro-4-methyl-3-propan-2-ylpent-2-ene

1-chloro-4-methyl-3-propan-2-ylpent-2-ene (PubChem CID 14510620) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-chloro-4-methyl-3-propan-2-ylpent-2-ene.

Molecular Properties

Compound Name1-chloro-4-methyl-3-propan-2-ylpent-2-ene
PubChem CID14510620
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-chloro-4-methyl-3-propan-2-ylpent-2-ene
SMILESCC(C)C(=CCCl)C(C)C
InChIInChI=1S/C9H17Cl/c1-7(2)9(5-6-10)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyXOMNIYOXKSJRLP-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.46
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 1-chloro-4-methyl-3-propan-2-ylpent-2-ene?
The IUPAC name of 1-chloro-4-methyl-3-propan-2-ylpent-2-ene (CID 14510620) is 1-chloro-4-methyl-3-propan-2-ylpent-2-ene.
What is the SMILES notation for 1-chloro-4-methyl-3-propan-2-ylpent-2-ene?
The canonical SMILES for 1-chloro-4-methyl-3-propan-2-ylpent-2-ene is CC(C)C(=CCCl)C(C)C.
What is the InChIKey of 1-chloro-4-methyl-3-propan-2-ylpent-2-ene?
The InChIKey is XOMNIYOXKSJRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-7(2)9(5-6-10)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 1-chloro-4-methyl-3-propan-2-ylpent-2-ene?
1-chloro-4-methyl-3-propan-2-ylpent-2-ene has a molecular weight of 160.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-3-propan-2-ylpent-2-ene is sourced from PubChem (CID 14510620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).