(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene

C13H23Cl — CID 171485746

IUPAC(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
SMILESCC(C)/C=C\C=C\CCCCCCCl
InChIInChI=1S/C13H23Cl/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h5,7,9,11,13H,3-4,6,8,10,12H2,1-2H3/b7-5+,11-9-
InChIKeyGZVRHYXGXICWDD-STRRHFTISA-N
MW214.78 g/mol
LogP4.94
Rot. Bonds8

About (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene

(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene (PubChem CID 171485746) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
PubChem CID171485746
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
SMILESCC(C)/C=C\C=C\CCCCCCCl
InChIInChI=1S/C13H23Cl/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h5,7,9,11,13H,3-4,6,8,10,12H2,1-2H3/b7-5+,11-9-
InChIKeyGZVRHYXGXICWDD-STRRHFTISA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.94
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

2-methylhexadeca-3,5-diene
CID 140995829
14-chloro-4-methyltetradeca-5,7-diene
CID 171472271
11-chloroundeca-2,4-diene
CID 168861619
(5Z,7Z)-16-chlorohexadeca-5,7-diene
CID 146189468
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
(5E,7E)-17-chloroheptadeca-5,7-diene
CID 146189406
13-chlorotrideca-3,5-diene
CID 168861620
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
1,17-dichloroheptadec-8-ene
CID 168864753
(3E,5Z)-dodeca-3,5-dien-2-amine
CID 14864066
dodeca-3,5-dien-2-amine
CID 72740287
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene?
The IUPAC name of (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene (CID 171485746) is (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene.
What is the SMILES notation for (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene?
The canonical SMILES for (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene is CC(C)/C=C\C=C\CCCCCCCl.
What is the InChIKey of (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene?
The InChIKey is GZVRHYXGXICWDD-STRRHFTISA-N. The full InChI is InChI=1S/C13H23Cl/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h5,7,9,11,13H,3-4,6,8,10,12H2,1-2H3/b7-5+,11-9-.
What are the key properties of (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene?
(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene has a molecular weight of 214.78 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-12-chloro-2-methyldodeca-3,5-diene is sourced from PubChem (CID 171485746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).