15,16,16-trimethylheptadec-1-ene

C20H40 — CID 174505406

IUPAC15,16,16-trimethylheptadec-1-ene
SMILESC=CCCCCCCCCCCCCC(C)C(C)(C)C
InChIInChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3,4)5/h6,19H,1,7-18H2,2-5H3
InChIKeyNPVYYVJRAAOXEQ-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.54
Rot. Bonds13

About 15,16,16-trimethylheptadec-1-ene

15,16,16-trimethylheptadec-1-ene (PubChem CID 174505406) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 15,16,16-trimethylheptadec-1-ene.

Molecular Properties

Compound Name15,16,16-trimethylheptadec-1-ene
PubChem CID174505406
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name15,16,16-trimethylheptadec-1-ene
SMILESC=CCCCCCCCCCCCCC(C)C(C)(C)C
InChIInChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3,4)5/h6,19H,1,7-18H2,2-5H3
InChIKeyNPVYYVJRAAOXEQ-UHFFFAOYSA-N
XLogP7.54
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 ≤ 57.54
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

2,2,3-trimethyldodec-11-en-5-ylhydrazine
CID 107013043
12-propan-2-yltricosa-1,22-diene
CID 102161324
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
2,2,3-trimethyldodec-11-en-5-one
CID 107011244
2,2,3-trimethylundecane
CID 21285055
14-methylhexadec-1-ene
CID 86185732
11-methyltridec-1-ene
CID 528465
8-methylnonadec-1-ene
CID 90877384
2-methylundec-10-enal
CID 547085
dec-9-ene-2,3-diol
CID 107008756
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999

Frequently Asked Questions

What is the IUPAC name of 15,16,16-trimethylheptadec-1-ene?
The IUPAC name of 15,16,16-trimethylheptadec-1-ene (CID 174505406) is 15,16,16-trimethylheptadec-1-ene.
What is the SMILES notation for 15,16,16-trimethylheptadec-1-ene?
The canonical SMILES for 15,16,16-trimethylheptadec-1-ene is C=CCCCCCCCCCCCCC(C)C(C)(C)C.
What is the InChIKey of 15,16,16-trimethylheptadec-1-ene?
The InChIKey is NPVYYVJRAAOXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3,4)5/h6,19H,1,7-18H2,2-5H3.
What are the key properties of 15,16,16-trimethylheptadec-1-ene?
15,16,16-trimethylheptadec-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.54, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16,16-trimethylheptadec-1-ene is sourced from PubChem (CID 174505406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).