(5E,7E)-17-chloroheptadeca-5,7-diene

C17H31Cl — CID 146189406

IUPAC(5E,7E)-17-chloroheptadeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCCCCCl
InChIInChI=1S/C17H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-8H,2-4,9-17H2,1H3/b6-5+,8-7+
InChIKeyMWYSPMQQMADOKH-BSWSSELBSA-N
MW270.89 g/mol
LogP6.65
Rot. Bonds13

About (5E,7E)-17-chloroheptadeca-5,7-diene

(5E,7E)-17-chloroheptadeca-5,7-diene (PubChem CID 146189406) has the molecular formula C17H31Cl and a molecular weight of 270.89 g/mol. Its IUPAC name is (5E,7E)-17-chloroheptadeca-5,7-diene.

Molecular Properties

Compound Name(5E,7E)-17-chloroheptadeca-5,7-diene
PubChem CID146189406
Molecular FormulaC17H31Cl
Molecular Weight270.89 g/mol
Exact Mass270.21
IUPAC Name(5E,7E)-17-chloroheptadeca-5,7-diene
SMILESCCCC/C=C/C=C/CCCCCCCCCCl
InChIInChI=1S/C17H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-8H,2-4,9-17H2,1H3/b6-5+,8-7+
InChIKeyMWYSPMQQMADOKH-BSWSSELBSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.89
LogP ≤ 56.65
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

(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
1-chlorodec-5-ene
CID 3085570
(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorooctadec-9-ene
CID 558046
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
13-chlorotrideca-3,5-diene
CID 168861620
(22E)-heptatetraconta-22,24-diene
CID 56629131
1-chlorotridec-4-ene
CID 54390291

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-17-chloroheptadeca-5,7-diene?
The IUPAC name of (5E,7E)-17-chloroheptadeca-5,7-diene (CID 146189406) is (5E,7E)-17-chloroheptadeca-5,7-diene.
What is the SMILES notation for (5E,7E)-17-chloroheptadeca-5,7-diene?
The canonical SMILES for (5E,7E)-17-chloroheptadeca-5,7-diene is CCCC/C=C/C=C/CCCCCCCCCCl.
What is the InChIKey of (5E,7E)-17-chloroheptadeca-5,7-diene?
The InChIKey is MWYSPMQQMADOKH-BSWSSELBSA-N. The full InChI is InChI=1S/C17H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h5-8H,2-4,9-17H2,1H3/b6-5+,8-7+.
What are the key properties of (5E,7E)-17-chloroheptadeca-5,7-diene?
(5E,7E)-17-chloroheptadeca-5,7-diene has a molecular weight of 270.89 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-17-chloroheptadeca-5,7-diene is sourced from PubChem (CID 146189406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).