(4E,6E)-1-chlorohexadeca-4,6-diene

C16H29Cl — CID 132820251

IUPAC(4E,6E)-1-chlorohexadeca-4,6-diene
SMILESCCCCCCCCC/C=C/C=C/CCCCl
InChIInChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h10-13H,2-9,14-16H2,1H3/b11-10+,13-12+
InChIKeyOMZNQAMIKIIRMR-AQASXUMVSA-N
MW256.86 g/mol
LogP6.26
Rot. Bonds12

About (4E,6E)-1-chlorohexadeca-4,6-diene

(4E,6E)-1-chlorohexadeca-4,6-diene (PubChem CID 132820251) has the molecular formula C16H29Cl and a molecular weight of 256.86 g/mol. Its IUPAC name is (4E,6E)-1-chlorohexadeca-4,6-diene.

Molecular Properties

Compound Name(4E,6E)-1-chlorohexadeca-4,6-diene
PubChem CID132820251
Molecular FormulaC16H29Cl
Molecular Weight256.86 g/mol
Exact Mass256.20
IUPAC Name(4E,6E)-1-chlorohexadeca-4,6-diene
SMILESCCCCCCCCC/C=C/C=C/CCCCl
InChIInChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h10-13H,2-9,14-16H2,1H3/b11-10+,13-12+
InChIKeyOMZNQAMIKIIRMR-AQASXUMVSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.86
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chlorotridec-4-ene
CID 54390291
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(22E)-heptatetraconta-22,24-diene
CID 56629131
(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorooctadec-9-ene
CID 558046
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(6E)-octadeca-4,6-diene
CID 173243345
(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-1-chlorohexadeca-4,6-diene?
The IUPAC name of (4E,6E)-1-chlorohexadeca-4,6-diene (CID 132820251) is (4E,6E)-1-chlorohexadeca-4,6-diene.
What is the SMILES notation for (4E,6E)-1-chlorohexadeca-4,6-diene?
The canonical SMILES for (4E,6E)-1-chlorohexadeca-4,6-diene is CCCCCCCCC/C=C/C=C/CCCCl.
What is the InChIKey of (4E,6E)-1-chlorohexadeca-4,6-diene?
The InChIKey is OMZNQAMIKIIRMR-AQASXUMVSA-N. The full InChI is InChI=1S/C16H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h10-13H,2-9,14-16H2,1H3/b11-10+,13-12+.
What are the key properties of (4E,6E)-1-chlorohexadeca-4,6-diene?
(4E,6E)-1-chlorohexadeca-4,6-diene has a molecular weight of 256.86 g/mol, XLogP of 6.26, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-1-chlorohexadeca-4,6-diene is sourced from PubChem (CID 132820251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).