(3Z)-2-chloro-5-methylhepta-1,3-diene

C8H13Cl — CID 87430188

IUPAC(3Z)-2-chloro-5-methylhepta-1,3-diene
SMILESC=C(Cl)/C=C\C(C)CC
InChIInChI=1S/C8H13Cl/c1-4-7(2)5-6-8(3)9/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyGFMPVACGFFHQDI-WAYWQWQTSA-N
MW144.64 g/mol
LogP3.34
Rot. Bonds3

About (3Z)-2-chloro-5-methylhepta-1,3-diene

(3Z)-2-chloro-5-methylhepta-1,3-diene (PubChem CID 87430188) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (3Z)-2-chloro-5-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-chloro-5-methylhepta-1,3-diene
PubChem CID87430188
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(3Z)-2-chloro-5-methylhepta-1,3-diene
SMILESC=C(Cl)/C=C\C(C)CC
InChIInChI=1S/C8H13Cl/c1-4-7(2)5-6-8(3)9/h5-7H,3-4H2,1-2H3/b6-5-
InChIKeyGFMPVACGFFHQDI-WAYWQWQTSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-chloro-5-methylhepta-1,3-diene?
The IUPAC name of (3Z)-2-chloro-5-methylhepta-1,3-diene (CID 87430188) is (3Z)-2-chloro-5-methylhepta-1,3-diene.
What is the SMILES notation for (3Z)-2-chloro-5-methylhepta-1,3-diene?
The canonical SMILES for (3Z)-2-chloro-5-methylhepta-1,3-diene is C=C(Cl)/C=C\C(C)CC.
What is the InChIKey of (3Z)-2-chloro-5-methylhepta-1,3-diene?
The InChIKey is GFMPVACGFFHQDI-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13Cl/c1-4-7(2)5-6-8(3)9/h5-7H,3-4H2,1-2H3/b6-5-.
What are the key properties of (3Z)-2-chloro-5-methylhepta-1,3-diene?
(3Z)-2-chloro-5-methylhepta-1,3-diene has a molecular weight of 144.64 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-chloro-5-methylhepta-1,3-diene is sourced from PubChem (CID 87430188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).