[(E)-2,3,5-trimethylhept-1-enyl]benzene

C16H24 — CID 102271069

IUPAC[(E)-2,3,5-trimethylhept-1-enyl]benzene
SMILESCCC(C)CC(C)/C(C)=C/c1ccccc1
InChIInChI=1S/C16H24/c1-5-13(2)11-14(3)15(4)12-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3/b15-12+
InChIKeyFASGXTITXNPEDR-NTCAYCPXSA-N
MW216.37 g/mol
LogP5.16
Rot. Bonds5

About [(E)-2,3,5-trimethylhept-1-enyl]benzene

[(E)-2,3,5-trimethylhept-1-enyl]benzene (PubChem CID 102271069) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is [(E)-2,3,5-trimethylhept-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2,3,5-trimethylhept-1-enyl]benzene
PubChem CID102271069
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name[(E)-2,3,5-trimethylhept-1-enyl]benzene
SMILESCCC(C)CC(C)/C(C)=C/c1ccccc1
InChIInChI=1S/C16H24/c1-5-13(2)11-14(3)15(4)12-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3/b15-12+
InChIKeyFASGXTITXNPEDR-NTCAYCPXSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-methyl-2-propan-2-ylhex-1-enyl)benzene
CID 90737119
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2-benzylidene-3-methylpentan-1-amine
CID 154441203
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908
[(E,3S)-3-azido-2-methylbut-1-enyl]benzene
CID 125493419
(3E)-3-benzylidenepentan-2-ol
CID 135080947
[(2E)-2-benzylidene-3-methylpentyl]-triethylsilane
CID 102146594
3-methyl-1-(4-phenylphenyl)pentan-1-ol
CID 65148669
[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
(2Z,4S,5Z)-4,5-dimethyl-6-phenylhexa-2,5-dienal
CID 142809063
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772

Frequently Asked Questions

What is the IUPAC name of [(E)-2,3,5-trimethylhept-1-enyl]benzene?
The IUPAC name of [(E)-2,3,5-trimethylhept-1-enyl]benzene (CID 102271069) is [(E)-2,3,5-trimethylhept-1-enyl]benzene.
What is the SMILES notation for [(E)-2,3,5-trimethylhept-1-enyl]benzene?
The canonical SMILES for [(E)-2,3,5-trimethylhept-1-enyl]benzene is CCC(C)CC(C)/C(C)=C/c1ccccc1.
What is the InChIKey of [(E)-2,3,5-trimethylhept-1-enyl]benzene?
The InChIKey is FASGXTITXNPEDR-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H24/c1-5-13(2)11-14(3)15(4)12-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3/b15-12+.
What are the key properties of [(E)-2,3,5-trimethylhept-1-enyl]benzene?
[(E)-2,3,5-trimethylhept-1-enyl]benzene has a molecular weight of 216.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,3,5-trimethylhept-1-enyl]benzene is sourced from PubChem (CID 102271069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).