3,7,11,15-tetramethylhexadeca-2,4-diene

C20H38 — CID 54405920

IUPAC3,7,11,15-tetramethylhexadeca-2,4-diene
SMILESCC=C(C)C=CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9,12,17,19-20H,8,10-11,13-16H2,1-6H3
InChIKeyVQQYVFHLBANXKS-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.17
Rot. Bonds11

About 3,7,11,15-tetramethylhexadeca-2,4-diene

3,7,11,15-tetramethylhexadeca-2,4-diene (PubChem CID 54405920) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadeca-2,4-diene.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadeca-2,4-diene
PubChem CID54405920
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name3,7,11,15-tetramethylhexadeca-2,4-diene
SMILESCC=C(C)C=CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9,12,17,19-20H,8,10-11,13-16H2,1-6H3
InChIKeyVQQYVFHLBANXKS-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,7,11,15-tetramethylhexadeca-2,4-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadeca-2,4-diene?
The IUPAC name of 3,7,11,15-tetramethylhexadeca-2,4-diene (CID 54405920) is 3,7,11,15-tetramethylhexadeca-2,4-diene.
What is the SMILES notation for 3,7,11,15-tetramethylhexadeca-2,4-diene?
The canonical SMILES for 3,7,11,15-tetramethylhexadeca-2,4-diene is CC=C(C)C=CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadeca-2,4-diene?
The InChIKey is VQQYVFHLBANXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,9,12,17,19-20H,8,10-11,13-16H2,1-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadeca-2,4-diene?
3,7,11,15-tetramethylhexadeca-2,4-diene has a molecular weight of 278.52 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadeca-2,4-diene is sourced from PubChem (CID 54405920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).