4,7-dimethyldodeca-2,6,9-triene

C14H24 — CID 123962716

IUPAC4,7-dimethyldodeca-2,6,9-triene
SMILESCC=CC(C)CC=C(C)CC=CCC
InChIInChI=1S/C14H24/c1-5-7-8-10-14(4)12-11-13(3)9-6-2/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyCYRSWOINWZPZFD-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.89
Rot. Bonds6

About 4,7-dimethyldodeca-2,6,9-triene

4,7-dimethyldodeca-2,6,9-triene (PubChem CID 123962716) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,7-dimethyldodeca-2,6,9-triene.

Molecular Properties

Compound Name4,7-dimethyldodeca-2,6,9-triene
PubChem CID123962716
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name4,7-dimethyldodeca-2,6,9-triene
SMILESCC=CC(C)CC=C(C)CC=CCC
InChIInChI=1S/C14H24/c1-5-7-8-10-14(4)12-11-13(3)9-6-2/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyCYRSWOINWZPZFD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-2,5-dimethylocta-2,6-dienyl] propanoate
CID 101283014
(2E,6E)-4,8-dimethyldeca-2,6-diene
CID 173250236
4,8-dimethylnona-2,6-diene
CID 54128177
(2E,5E,7S,8E)-5,7-dimethyldeca-2,5,8-trien-1-ol
CID 102272672
(11Z)-6,10-dimethyltrideca-2,6,11-triene
CID 91509510
3-methylhepta-2,5-dien-1-ol
CID 167443292
4-methylundeca-2,6-diene
CID 173179145
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(4E,8E)-7-methyldeca-1,4,8-triene
CID 20695287
5-methylnona-1,4,7-triene
CID 59970949
(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
CID 59516406

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyldodeca-2,6,9-triene?
The IUPAC name of 4,7-dimethyldodeca-2,6,9-triene (CID 123962716) is 4,7-dimethyldodeca-2,6,9-triene.
What is the SMILES notation for 4,7-dimethyldodeca-2,6,9-triene?
The canonical SMILES for 4,7-dimethyldodeca-2,6,9-triene is CC=CC(C)CC=C(C)CC=CCC.
What is the InChIKey of 4,7-dimethyldodeca-2,6,9-triene?
The InChIKey is CYRSWOINWZPZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-7-8-10-14(4)12-11-13(3)9-6-2/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 4,7-dimethyldodeca-2,6,9-triene?
4,7-dimethyldodeca-2,6,9-triene has a molecular weight of 192.35 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyldodeca-2,6,9-triene is sourced from PubChem (CID 123962716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).