(3E,5Z)-4-chloro-5-ethylocta-3,5-diene

C10H17Cl — CID 89381357

IUPAC(3E,5Z)-4-chloro-5-ethylocta-3,5-diene
SMILESCC/C=C(CC)\C(Cl)=C/CC
InChIInChI=1S/C10H17Cl/c1-4-7-9(6-3)10(11)8-5-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+
InChIKeyTWDZHEJNNCTGRE-FKJILZIQSA-N
MW172.70 g/mol
LogP4.27
Rot. Bonds4

About (3E,5Z)-4-chloro-5-ethylocta-3,5-diene

(3E,5Z)-4-chloro-5-ethylocta-3,5-diene (PubChem CID 89381357) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (3E,5Z)-4-chloro-5-ethylocta-3,5-diene.

Molecular Properties

Compound Name(3E,5Z)-4-chloro-5-ethylocta-3,5-diene
PubChem CID89381357
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(3E,5Z)-4-chloro-5-ethylocta-3,5-diene
SMILESCC/C=C(CC)\C(Cl)=C/CC
InChIInChI=1S/C10H17Cl/c1-4-7-9(6-3)10(11)8-5-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+
InChIKeyTWDZHEJNNCTGRE-FKJILZIQSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
LogP ≤ 54.27
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 (3E,5Z)-4-chloro-5-ethylocta-3,5-diene?
The IUPAC name of (3E,5Z)-4-chloro-5-ethylocta-3,5-diene (CID 89381357) is (3E,5Z)-4-chloro-5-ethylocta-3,5-diene.
What is the SMILES notation for (3E,5Z)-4-chloro-5-ethylocta-3,5-diene?
The canonical SMILES for (3E,5Z)-4-chloro-5-ethylocta-3,5-diene is CC/C=C(CC)\C(Cl)=C/CC.
What is the InChIKey of (3E,5Z)-4-chloro-5-ethylocta-3,5-diene?
The InChIKey is TWDZHEJNNCTGRE-FKJILZIQSA-N. The full InChI is InChI=1S/C10H17Cl/c1-4-7-9(6-3)10(11)8-5-2/h7-8H,4-6H2,1-3H3/b9-7-,10-8+.
What are the key properties of (3E,5Z)-4-chloro-5-ethylocta-3,5-diene?
(3E,5Z)-4-chloro-5-ethylocta-3,5-diene has a molecular weight of 172.70 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-chloro-5-ethylocta-3,5-diene is sourced from PubChem (CID 89381357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).