14-chloro-4-methyltetradeca-5,7-diene

C15H27Cl — CID 171472271

IUPAC14-chloro-4-methyltetradeca-5,7-diene
SMILESCCCC(C)C=CC=CCCCCCCCl
InChIInChI=1S/C15H27Cl/c1-3-12-15(2)13-10-8-6-4-5-7-9-11-14-16/h6,8,10,13,15H,3-5,7,9,11-12,14H2,1-2H3
InChIKeyXQWKPSDMLWXEEB-UHFFFAOYSA-N
MW242.83 g/mol
LogP5.72
Rot. Bonds10

About 14-chloro-4-methyltetradeca-5,7-diene

14-chloro-4-methyltetradeca-5,7-diene (PubChem CID 171472271) has the molecular formula C15H27Cl and a molecular weight of 242.83 g/mol. Its IUPAC name is 14-chloro-4-methyltetradeca-5,7-diene.

Molecular Properties

Compound Name14-chloro-4-methyltetradeca-5,7-diene
PubChem CID171472271
Molecular FormulaC15H27Cl
Molecular Weight242.83 g/mol
Exact Mass242.18
IUPAC Name14-chloro-4-methyltetradeca-5,7-diene
SMILESCCCC(C)C=CC=CCCCCCCCl
InChIInChI=1S/C15H27Cl/c1-3-12-15(2)13-10-8-6-4-5-7-9-11-14-16/h6,8,10,13,15H,3-5,7,9,11-12,14H2,1-2H3
InChIKeyXQWKPSDMLWXEEB-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.83
LogP ≤ 55.72
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

(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
CID 171485746
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
(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
13-chlorotrideca-3,5-diene
CID 168861620
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
2-methylhexadeca-3,5-diene
CID 140995829

Frequently Asked Questions

What is the IUPAC name of 14-chloro-4-methyltetradeca-5,7-diene?
The IUPAC name of 14-chloro-4-methyltetradeca-5,7-diene (CID 171472271) is 14-chloro-4-methyltetradeca-5,7-diene.
What is the SMILES notation for 14-chloro-4-methyltetradeca-5,7-diene?
The canonical SMILES for 14-chloro-4-methyltetradeca-5,7-diene is CCCC(C)C=CC=CCCCCCCCl.
What is the InChIKey of 14-chloro-4-methyltetradeca-5,7-diene?
The InChIKey is XQWKPSDMLWXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27Cl/c1-3-12-15(2)13-10-8-6-4-5-7-9-11-14-16/h6,8,10,13,15H,3-5,7,9,11-12,14H2,1-2H3.
What are the key properties of 14-chloro-4-methyltetradeca-5,7-diene?
14-chloro-4-methyltetradeca-5,7-diene has a molecular weight of 242.83 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-chloro-4-methyltetradeca-5,7-diene is sourced from PubChem (CID 171472271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).