7-methyldodeca-3,6-diene

C13H24 — CID 140972090

IUPAC7-methyldodeca-3,6-diene
SMILESCCC=CCC=C(C)CCCCC
InChIInChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyDZBMYEHALAGYJJ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.87
Rot. Bonds7

About 7-methyldodeca-3,6-diene

7-methyldodeca-3,6-diene (PubChem CID 140972090) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 7-methyldodeca-3,6-diene.

Molecular Properties

Compound Name7-methyldodeca-3,6-diene
PubChem CID140972090
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name7-methyldodeca-3,6-diene
SMILESCCC=CCC=C(C)CCCCC
InChIInChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3
InChIKeyDZBMYEHALAGYJJ-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 11126649
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CID 162073402
4-methyloct-3-ene
CID 85445337
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
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7-methyloctadec-7-ene
CID 123477460
3,7-dimethyloctadeca-1,3,6-triene
CID 174988182
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
3-methyldec-2-ene
CID 550799
[(E)-3-methyloct-2-enyl]benzene
CID 12622229
(9E,12E,15E)-octadeca-9,12,15-trienoic acid;(E)-octadec-9-enoic acid
CID 88741992

Frequently Asked Questions

What is the IUPAC name of 7-methyldodeca-3,6-diene?
The IUPAC name of 7-methyldodeca-3,6-diene (CID 140972090) is 7-methyldodeca-3,6-diene.
What is the SMILES notation for 7-methyldodeca-3,6-diene?
The canonical SMILES for 7-methyldodeca-3,6-diene is CCC=CCC=C(C)CCCCC.
What is the InChIKey of 7-methyldodeca-3,6-diene?
The InChIKey is DZBMYEHALAGYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-8-10-12-13(3)11-9-7-5-2/h6,8,12H,4-5,7,9-11H2,1-3H3.
What are the key properties of 7-methyldodeca-3,6-diene?
7-methyldodeca-3,6-diene has a molecular weight of 180.33 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldodeca-3,6-diene is sourced from PubChem (CID 140972090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).