(3E)-1-chlorodeca-1,3-diene

C10H17Cl — CID 177456739

IUPAC(3E)-1-chlorodeca-1,3-diene
SMILESCCCCCC/C=C/C=CCl
InChIInChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h7-10H,2-6H2,1H3/b8-7+,10-9?
InChIKeySRISETSIDIRMSQ-JSGCFVPUSA-N
MW172.70 g/mol
LogP4.27
Rot. Bonds6

About (3E)-1-chlorodeca-1,3-diene

(3E)-1-chlorodeca-1,3-diene (PubChem CID 177456739) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is (3E)-1-chlorodeca-1,3-diene.

Molecular Properties

Compound Name(3E)-1-chlorodeca-1,3-diene
PubChem CID177456739
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name(3E)-1-chlorodeca-1,3-diene
SMILESCCCCCC/C=C/C=CCl
InChIInChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h7-10H,2-6H2,1H3/b8-7+,10-9?
InChIKeySRISETSIDIRMSQ-JSGCFVPUSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-1-chlorodeca-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424
(1E,3E)-1-chloronona-1,3-diene
CID 10964790
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(6E)-octadeca-4,6-diene
CID 173243345
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(E)-1-chlorododec-1-ene
CID 6438318
1-chlorohept-1-ene
CID 520074
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468

Frequently Asked Questions

What is the IUPAC name of (3E)-1-chlorodeca-1,3-diene?
The IUPAC name of (3E)-1-chlorodeca-1,3-diene (CID 177456739) is (3E)-1-chlorodeca-1,3-diene.
What is the SMILES notation for (3E)-1-chlorodeca-1,3-diene?
The canonical SMILES for (3E)-1-chlorodeca-1,3-diene is CCCCCC/C=C/C=CCl.
What is the InChIKey of (3E)-1-chlorodeca-1,3-diene?
The InChIKey is SRISETSIDIRMSQ-JSGCFVPUSA-N. The full InChI is InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h7-10H,2-6H2,1H3/b8-7+,10-9?.
What are the key properties of (3E)-1-chlorodeca-1,3-diene?
(3E)-1-chlorodeca-1,3-diene has a molecular weight of 172.70 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-chlorodeca-1,3-diene is sourced from PubChem (CID 177456739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).