1-chlorotridec-4-ene

C13H25Cl — CID 54390291

IUPAC1-chlorotridec-4-ene
SMILESCCCCCCCCC=CCCCCl
InChIInChI=1S/C13H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10H,2-8,11-13H2,1H3
InChIKeyVGDRTXSYQZLCPP-UHFFFAOYSA-N
MW216.80 g/mol
LogP5.31
Rot. Bonds10

About 1-chlorotridec-4-ene

1-chlorotridec-4-ene (PubChem CID 54390291) has the molecular formula C13H25Cl and a molecular weight of 216.80 g/mol. Its IUPAC name is 1-chlorotridec-4-ene.

Molecular Properties

Compound Name1-chlorotridec-4-ene
PubChem CID54390291
Molecular FormulaC13H25Cl
Molecular Weight216.80 g/mol
Exact Mass216.16
IUPAC Name1-chlorotridec-4-ene
SMILESCCCCCCCCC=CCCCCl
InChIInChI=1S/C13H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10H,2-8,11-13H2,1H3
InChIKeyVGDRTXSYQZLCPP-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.80
LogP ≤ 55.31
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorooctadec-9-ene
CID 558046
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
1-chlorodec-5-ene
CID 3085570
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexacos-10-ene
CID 22172169
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of 1-chlorotridec-4-ene?
The IUPAC name of 1-chlorotridec-4-ene (CID 54390291) is 1-chlorotridec-4-ene.
What is the SMILES notation for 1-chlorotridec-4-ene?
The canonical SMILES for 1-chlorotridec-4-ene is CCCCCCCCC=CCCCCl.
What is the InChIKey of 1-chlorotridec-4-ene?
The InChIKey is VGDRTXSYQZLCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10H,2-8,11-13H2,1H3.
What are the key properties of 1-chlorotridec-4-ene?
1-chlorotridec-4-ene has a molecular weight of 216.80 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorotridec-4-ene is sourced from PubChem (CID 54390291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).