2-methyldodeca-4,7-diene

C13H24 — CID 123659021

IUPAC2-methyldodeca-4,7-diene
SMILESCCCCC=CCC=CCC(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyYHCMCTGQVLRSFZ-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.73
Rot. Bonds7

About 2-methyldodeca-4,7-diene

2-methyldodeca-4,7-diene (PubChem CID 123659021) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-methyldodeca-4,7-diene.

Molecular Properties

Compound Name2-methyldodeca-4,7-diene
PubChem CID123659021
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name2-methyldodeca-4,7-diene
SMILESCCCCC=CCC=CCC(C)C
InChIInChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
InChIKeyYHCMCTGQVLRSFZ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.73
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

(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
(4E,14E)-2-methylnonadeca-4,14-diene
CID 177270218
(E)-2-methyldec-4-ene
CID 5364887
methane;(5Z,8Z,11Z,14Z)-nonadeca-5,8,11,14-tetraene
CID 159218033
(5E,8E)-tetradeca-5,8-diene
CID 13430684
heptadeca-5,8,11-triene
CID 54101473
trideca-3,5,8-triene
CID 154411213
(E,2R)-non-4-en-2-ol
CID 131232400
(5Z,9Z,12Z)-2-methyloctadeca-5,9,12-triene
CID 173133183
(2E,5E)-deca-2,5-diene
CID 6429648
heptadeca-3,6,12-triene
CID 54220025
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065

Frequently Asked Questions

What is the IUPAC name of 2-methyldodeca-4,7-diene?
The IUPAC name of 2-methyldodeca-4,7-diene (CID 123659021) is 2-methyldodeca-4,7-diene.
What is the SMILES notation for 2-methyldodeca-4,7-diene?
The canonical SMILES for 2-methyldodeca-4,7-diene is CCCCC=CCC=CCC(C)C.
What is the InChIKey of 2-methyldodeca-4,7-diene?
The InChIKey is YHCMCTGQVLRSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-8,10-11,13H,4-6,9,12H2,1-3H3.
What are the key properties of 2-methyldodeca-4,7-diene?
2-methyldodeca-4,7-diene has a molecular weight of 180.34 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodeca-4,7-diene is sourced from PubChem (CID 123659021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).