3,7,11-trimethylhexadeca-2,6,10-triene

C19H34 — CID 54031242

IUPAC3,7,11-trimethylhexadeca-2,6,10-triene
SMILESCC=C(C)CCC=C(C)CCC=C(C)CCCCC
InChIInChI=1S/C19H34/c1-6-8-9-12-18(4)15-11-16-19(5)14-10-13-17(3)7-2/h7,14-15H,6,8-13,16H2,1-5H3
InChIKeyNYQZLGSOHQYPAE-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.99
Rot. Bonds10

About 3,7,11-trimethylhexadeca-2,6,10-triene

3,7,11-trimethylhexadeca-2,6,10-triene (PubChem CID 54031242) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 3,7,11-trimethylhexadeca-2,6,10-triene.

Molecular Properties

Compound Name3,7,11-trimethylhexadeca-2,6,10-triene
PubChem CID54031242
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name3,7,11-trimethylhexadeca-2,6,10-triene
SMILESCC=C(C)CCC=C(C)CCC=C(C)CCCCC
InChIInChI=1S/C19H34/c1-6-8-9-12-18(4)15-11-16-19(5)14-10-13-17(3)7-2/h7,14-15H,6,8-13,16H2,1-5H3
InChIKeyNYQZLGSOHQYPAE-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.99
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'}

Analyze 3,7,11-trimethylhexadeca-2,6,10-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
(E)-10-methylnonadec-9-ene
CID 5364653
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
7-methyloctadec-7-ene
CID 123477460
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylnon-3-en-1-amine
CID 79593569

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethylhexadeca-2,6,10-triene?
The IUPAC name of 3,7,11-trimethylhexadeca-2,6,10-triene (CID 54031242) is 3,7,11-trimethylhexadeca-2,6,10-triene.
What is the SMILES notation for 3,7,11-trimethylhexadeca-2,6,10-triene?
The canonical SMILES for 3,7,11-trimethylhexadeca-2,6,10-triene is CC=C(C)CCC=C(C)CCC=C(C)CCCCC.
What is the InChIKey of 3,7,11-trimethylhexadeca-2,6,10-triene?
The InChIKey is NYQZLGSOHQYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-6-8-9-12-18(4)15-11-16-19(5)14-10-13-17(3)7-2/h7,14-15H,6,8-13,16H2,1-5H3.
What are the key properties of 3,7,11-trimethylhexadeca-2,6,10-triene?
3,7,11-trimethylhexadeca-2,6,10-triene has a molecular weight of 262.48 g/mol, XLogP of 6.99, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethylhexadeca-2,6,10-triene is sourced from PubChem (CID 54031242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).