(Z)-2-methyloct-6-enoyl chloride

C9H15ClO — CID 134893123

IUPAC(Z)-2-methyloct-6-enoyl chloride
SMILESC/C=C\CCCC(C)C(=O)Cl
InChIInChI=1S/C9H15ClO/c1-3-4-5-6-7-8(2)9(10)11/h3-4,8H,5-7H2,1-2H3/b4-3-
InChIKeySPPKYFGYABIMRN-ARJAWSKDSA-N
MW174.67 g/mol
LogP3.13
Rot. Bonds5

About (Z)-2-methyloct-6-enoyl chloride

(Z)-2-methyloct-6-enoyl chloride (PubChem CID 134893123) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is (Z)-2-methyloct-6-enoyl chloride.

Molecular Properties

Compound Name(Z)-2-methyloct-6-enoyl chloride
PubChem CID134893123
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name(Z)-2-methyloct-6-enoyl chloride
SMILESC/C=C\CCCC(C)C(=O)Cl
InChIInChI=1S/C9H15ClO/c1-3-4-5-6-7-8(2)9(10)11/h3-4,8H,5-7H2,1-2H3/b4-3-
InChIKeySPPKYFGYABIMRN-ARJAWSKDSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-methyloct-6-enoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyloct-6-enoyl chloride?
The IUPAC name of (Z)-2-methyloct-6-enoyl chloride (CID 134893123) is (Z)-2-methyloct-6-enoyl chloride.
What is the SMILES notation for (Z)-2-methyloct-6-enoyl chloride?
The canonical SMILES for (Z)-2-methyloct-6-enoyl chloride is C/C=C\CCCC(C)C(=O)Cl.
What is the InChIKey of (Z)-2-methyloct-6-enoyl chloride?
The InChIKey is SPPKYFGYABIMRN-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H15ClO/c1-3-4-5-6-7-8(2)9(10)11/h3-4,8H,5-7H2,1-2H3/b4-3-.
What are the key properties of (Z)-2-methyloct-6-enoyl chloride?
(Z)-2-methyloct-6-enoyl chloride has a molecular weight of 174.67 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyloct-6-enoyl chloride is sourced from PubChem (CID 134893123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).