3,7,11,15-tetramethylhexadec-1-ene

C20H40 — CID 529408

IUPAC3,7,11,15-tetramethylhexadec-1-ene
SMILESC=CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3
InChIKeyXQNRAQZFPXUCOT-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.25
Rot. Bonds13

About 3,7,11,15-tetramethylhexadec-1-ene

3,7,11,15-tetramethylhexadec-1-ene (PubChem CID 529408) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadec-1-ene.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadec-1-ene
PubChem CID529408
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name3,7,11,15-tetramethylhexadec-1-ene
SMILESC=CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3
InChIKeyXQNRAQZFPXUCOT-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadec-1-ene?
The IUPAC name of 3,7,11,15-tetramethylhexadec-1-ene (CID 529408) is 3,7,11,15-tetramethylhexadec-1-ene.
What is the SMILES notation for 3,7,11,15-tetramethylhexadec-1-ene?
The canonical SMILES for 3,7,11,15-tetramethylhexadec-1-ene is C=CC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11,15-tetramethylhexadec-1-ene?
The InChIKey is XQNRAQZFPXUCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,17-20H,1,8-16H2,2-6H3.
What are the key properties of 3,7,11,15-tetramethylhexadec-1-ene?
3,7,11,15-tetramethylhexadec-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.25, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadec-1-ene is sourced from PubChem (CID 529408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).