(3Z,5E)-1-chlorodeca-1,3,5-triene

C10H15Cl — CID 138968587

IUPAC(3Z,5E)-1-chlorodeca-1,3,5-triene
SMILESCCCC/C=C/C=C\C=CCl
InChIInChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h5-10H,2-4H2,1H3/b6-5+,8-7-,10-9?
InChIKeyGTUWVESZDBJJLY-BAYDIGIVSA-N
MW170.68 g/mol
LogP4.04
Rot. Bonds5

About (3Z,5E)-1-chlorodeca-1,3,5-triene

(3Z,5E)-1-chlorodeca-1,3,5-triene (PubChem CID 138968587) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is (3Z,5E)-1-chlorodeca-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-1-chlorodeca-1,3,5-triene
PubChem CID138968587
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name(3Z,5E)-1-chlorodeca-1,3,5-triene
SMILESCCCC/C=C/C=C\C=CCl
InChIInChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h5-10H,2-4H2,1H3/b6-5+,8-7-,10-9?
InChIKeyGTUWVESZDBJJLY-BAYDIGIVSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 54.04
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'}

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Related Compounds

(1E,3E)-1-chloronona-1,3-diene
CID 10964790
(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424
(3E)-1-chlorodeca-1,3-diene
CID 177456739
trideca-2,4,6,8-tetraene
CID 54117998
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(6E)-octadeca-4,6-diene
CID 173243345

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-1-chlorodeca-1,3,5-triene?
The IUPAC name of (3Z,5E)-1-chlorodeca-1,3,5-triene (CID 138968587) is (3Z,5E)-1-chlorodeca-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-1-chlorodeca-1,3,5-triene?
The canonical SMILES for (3Z,5E)-1-chlorodeca-1,3,5-triene is CCCC/C=C/C=C\C=CCl.
What is the InChIKey of (3Z,5E)-1-chlorodeca-1,3,5-triene?
The InChIKey is GTUWVESZDBJJLY-BAYDIGIVSA-N. The full InChI is InChI=1S/C10H15Cl/c1-2-3-4-5-6-7-8-9-10-11/h5-10H,2-4H2,1H3/b6-5+,8-7-,10-9?.
What are the key properties of (3Z,5E)-1-chlorodeca-1,3,5-triene?
(3Z,5E)-1-chlorodeca-1,3,5-triene has a molecular weight of 170.68 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1-chlorodeca-1,3,5-triene is sourced from PubChem (CID 138968587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).