2,3,4-trimethylhexadec-2-ene

C19H38 — CID 90705633

IUPAC2,3,4-trimethylhexadec-2-ene
SMILESCCCCCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C19H38/c1-6-7-8-9-10-11-12-13-14-15-16-18(4)19(5)17(2)3/h18H,6-16H2,1-5H3
InChIKeyJAXBJVFCDYDAHJ-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.29
Rot. Bonds12

About 2,3,4-trimethylhexadec-2-ene

2,3,4-trimethylhexadec-2-ene (PubChem CID 90705633) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 2,3,4-trimethylhexadec-2-ene.

Molecular Properties

Compound Name2,3,4-trimethylhexadec-2-ene
PubChem CID90705633
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name2,3,4-trimethylhexadec-2-ene
SMILESCCCCCCCCCCCCC(C)C(C)=C(C)C
InChIInChI=1S/C19H38/c1-6-7-8-9-10-11-12-13-14-15-16-18(4)19(5)17(2)3/h18H,6-16H2,1-5H3
InChIKeyJAXBJVFCDYDAHJ-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.29
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

3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
2-methyldecanoyl chloride
CID 19022279
(2S)-2-methyloctadecanoyl chloride
CID 88703138
(4S)-4,5,6-trimethylhept-5-ene-1-thiol
CID 89079545
(3R)-3-methyloctan-2-one
CID 158725350
2,3-dimethyldodec-1-ene;ethane;ethene
CID 144958915
magnesium bis(2-methylnonanoate)
CID 175226104
heptane;2-methylheptadecanoic acid
CID 175511035
3-(methylamino)nonan-2-one
CID 21024660
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylhexadec-2-ene?
The IUPAC name of 2,3,4-trimethylhexadec-2-ene (CID 90705633) is 2,3,4-trimethylhexadec-2-ene.
What is the SMILES notation for 2,3,4-trimethylhexadec-2-ene?
The canonical SMILES for 2,3,4-trimethylhexadec-2-ene is CCCCCCCCCCCCC(C)C(C)=C(C)C.
What is the InChIKey of 2,3,4-trimethylhexadec-2-ene?
The InChIKey is JAXBJVFCDYDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-6-7-8-9-10-11-12-13-14-15-16-18(4)19(5)17(2)3/h18H,6-16H2,1-5H3.
What are the key properties of 2,3,4-trimethylhexadec-2-ene?
2,3,4-trimethylhexadec-2-ene has a molecular weight of 266.51 g/mol, XLogP of 7.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylhexadec-2-ene is sourced from PubChem (CID 90705633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).