(E)-1-chloroheptadec-7-ene

C17H33Cl — CID 5364485

IUPAC(E)-1-chloroheptadec-7-ene
SMILESCCCCCCCCC/C=C/CCCCCCCl
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h10-11H,2-9,12-17H2,1H3/b11-10+
InChIKeyDUYAOUUOWHAJIX-ZHACJKMWSA-N
MW272.90 g/mol
LogP6.87
Rot. Bonds14

About (E)-1-chloroheptadec-7-ene

(E)-1-chloroheptadec-7-ene (PubChem CID 5364485) has the molecular formula C17H33Cl and a molecular weight of 272.90 g/mol. Its IUPAC name is (E)-1-chloroheptadec-7-ene.

Molecular Properties

Compound Name(E)-1-chloroheptadec-7-ene
PubChem CID5364485
Molecular FormulaC17H33Cl
Molecular Weight272.90 g/mol
Exact Mass272.23
IUPAC Name(E)-1-chloroheptadec-7-ene
SMILESCCCCCCCCC/C=C/CCCCCCCl
InChIInChI=1S/C17H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h10-11H,2-9,12-17H2,1H3/b11-10+
InChIKeyDUYAOUUOWHAJIX-ZHACJKMWSA-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

1-chlorooctadec-9-ene
CID 558046
1-chlorotridec-4-ene
CID 54390291
1-chlorodec-5-ene
CID 3085570
(Z)-10-chlorodec-4-ene
CID 14373086
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloroheptadec-7-ene?
The IUPAC name of (E)-1-chloroheptadec-7-ene (CID 5364485) is (E)-1-chloroheptadec-7-ene.
What is the SMILES notation for (E)-1-chloroheptadec-7-ene?
The canonical SMILES for (E)-1-chloroheptadec-7-ene is CCCCCCCCC/C=C/CCCCCCCl.
What is the InChIKey of (E)-1-chloroheptadec-7-ene?
The InChIKey is DUYAOUUOWHAJIX-ZHACJKMWSA-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/h10-11H,2-9,12-17H2,1H3/b11-10+.
What are the key properties of (E)-1-chloroheptadec-7-ene?
(E)-1-chloroheptadec-7-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 (E)-1-chloroheptadec-7-ene is sourced from PubChem (CID 5364485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).