1-chloroheptadec-8-ene

C17H33Cl — CID 543580

IUPAC1-chloroheptadec-8-ene
SMILESCCCCCCCCC=CCCCCCCCCl
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3
InChIKeyHLWWZTHFGHFZMB-UHFFFAOYSA-N
MW272.90 g/mol
LogP6.87
Rot. Bonds14

About 1-chloroheptadec-8-ene

1-chloroheptadec-8-ene (PubChem CID 543580) has the molecular formula C17H33Cl and a molecular weight of 272.90 g/mol. Its IUPAC name is 1-chloroheptadec-8-ene.

Molecular Properties

Compound Name1-chloroheptadec-8-ene
PubChem CID543580
Molecular FormulaC17H33Cl
Molecular Weight272.90 g/mol
Exact Mass272.23
IUPAC Name1-chloroheptadec-8-ene
SMILESCCCCCCCCC=CCCCCCCCCl
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3
InChIKeyHLWWZTHFGHFZMB-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.90
LogP ≤ 56.87
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

9-Octadecene, 1-chloro-
CID 5367784
3-Nonene, 9-chloro-, (3Z)-
CID 12795776
3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
5-Dodecene, 12-chloro-, (5Z)-
CID 6450294
3-Chloronon-1-ene
CID 3021823
(E)-1-chloronon-2-ene
CID 11182776
(z)-9-Tetradecenyl chloride
CID 13034419
3-Chlorodec-1-ene
CID 21423521
2-Decene, 1-chloro-, (Z)-
CID 53679223
3-Chlorooctadec-1-ene
CID 85821867

Frequently Asked Questions

What is the IUPAC name of 1-chloroheptadec-8-ene?
The IUPAC name of 1-chloroheptadec-8-ene (CID 543580) is 1-chloroheptadec-8-ene.
What is the SMILES notation for 1-chloroheptadec-8-ene?
The canonical SMILES for 1-chloroheptadec-8-ene is CCCCCCCCC=CCCCCCCCCl.
What is the InChIKey of 1-chloroheptadec-8-ene?
The InChIKey is HLWWZTHFGHFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10H,2-8,11-17H2,1H3.
What are the key properties of 1-chloroheptadec-8-ene?
1-chloroheptadec-8-ene has a molecular weight of 272.90 g/mol, XLogP of 6.87, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroheptadec-8-ene is sourced from PubChem (CID 543580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).