(4Z)-5-chloro-4-ethylhepta-1,4-diene

C9H15Cl — CID 134933323

IUPAC(4Z)-5-chloro-4-ethylhepta-1,4-diene
SMILESC=CC/C(CC)=C(\Cl)CC
InChIInChI=1S/C9H15Cl/c1-4-7-8(5-2)9(10)6-3/h4H,1,5-7H2,2-3H3/b9-8-
InChIKeyLXHWHSKFSAPAGY-HJWRWDBZSA-N
MW158.67 g/mol
LogP3.88
Rot. Bonds4

About (4Z)-5-chloro-4-ethylhepta-1,4-diene

(4Z)-5-chloro-4-ethylhepta-1,4-diene (PubChem CID 134933323) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is (4Z)-5-chloro-4-ethylhepta-1,4-diene.

Molecular Properties

Compound Name(4Z)-5-chloro-4-ethylhepta-1,4-diene
PubChem CID134933323
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name(4Z)-5-chloro-4-ethylhepta-1,4-diene
SMILESC=CC/C(CC)=C(\Cl)CC
InChIInChI=1S/C9H15Cl/c1-4-7-8(5-2)9(10)6-3/h4H,1,5-7H2,2-3H3/b9-8-
InChIKeyLXHWHSKFSAPAGY-HJWRWDBZSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-chloro-4-ethylhepta-1,4-diene?
The IUPAC name of (4Z)-5-chloro-4-ethylhepta-1,4-diene (CID 134933323) is (4Z)-5-chloro-4-ethylhepta-1,4-diene.
What is the SMILES notation for (4Z)-5-chloro-4-ethylhepta-1,4-diene?
The canonical SMILES for (4Z)-5-chloro-4-ethylhepta-1,4-diene is C=CC/C(CC)=C(\Cl)CC.
What is the InChIKey of (4Z)-5-chloro-4-ethylhepta-1,4-diene?
The InChIKey is LXHWHSKFSAPAGY-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H15Cl/c1-4-7-8(5-2)9(10)6-3/h4H,1,5-7H2,2-3H3/b9-8-.
What are the key properties of (4Z)-5-chloro-4-ethylhepta-1,4-diene?
(4Z)-5-chloro-4-ethylhepta-1,4-diene has a molecular weight of 158.67 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-chloro-4-ethylhepta-1,4-diene is sourced from PubChem (CID 134933323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).