(3Z)-7-chloro-4-methylhepta-1,3-diene

C8H13Cl — CID 130195022

IUPAC(3Z)-7-chloro-4-methylhepta-1,3-diene
SMILESC=C/C=C(/C)CCCCl
InChIInChI=1S/C8H13Cl/c1-3-5-8(2)6-4-7-9/h3,5H,1,4,6-7H2,2H3/b8-5-
InChIKeyGBQGWCJMGLUSPD-YVMONPNESA-N
MW144.64 g/mol
LogP3.14
Rot. Bonds4

About (3Z)-7-chloro-4-methylhepta-1,3-diene

(3Z)-7-chloro-4-methylhepta-1,3-diene (PubChem CID 130195022) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (3Z)-7-chloro-4-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-7-chloro-4-methylhepta-1,3-diene
PubChem CID130195022
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(3Z)-7-chloro-4-methylhepta-1,3-diene
SMILESC=C/C=C(/C)CCCCl
InChIInChI=1S/C8H13Cl/c1-3-5-8(2)6-4-7-9/h3,5H,1,4,6-7H2,2H3/b8-5-
InChIKeyGBQGWCJMGLUSPD-YVMONPNESA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-chloro-4-methylhepta-1,3-diene?
The IUPAC name of (3Z)-7-chloro-4-methylhepta-1,3-diene (CID 130195022) is (3Z)-7-chloro-4-methylhepta-1,3-diene.
What is the SMILES notation for (3Z)-7-chloro-4-methylhepta-1,3-diene?
The canonical SMILES for (3Z)-7-chloro-4-methylhepta-1,3-diene is C=C/C=C(/C)CCCCl.
What is the InChIKey of (3Z)-7-chloro-4-methylhepta-1,3-diene?
The InChIKey is GBQGWCJMGLUSPD-YVMONPNESA-N. The full InChI is InChI=1S/C8H13Cl/c1-3-5-8(2)6-4-7-9/h3,5H,1,4,6-7H2,2H3/b8-5-.
What are the key properties of (3Z)-7-chloro-4-methylhepta-1,3-diene?
(3Z)-7-chloro-4-methylhepta-1,3-diene has a molecular weight of 144.64 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-chloro-4-methylhepta-1,3-diene is sourced from PubChem (CID 130195022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).