1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen

C16H28 — CID 165392060

IUPAC1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen
SMILESC=CC(C)CC.CCc1cccc(C)c1C.[H][H]
InChIInChI=1S/C10H14.C6H12.H2/c1-4-10-7-5-6-8(2)9(10)3;1-4-6(3)5-2;/h5-7H,4H2,1-3H3;4,6H,1,5H2,2-3H3;1H
InChIKeyXLYJOXCSXSKHSX-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.33
Rot. Bonds3

About 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen

1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen (PubChem CID 165392060) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen.

Molecular Properties

Compound Name1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen
PubChem CID165392060
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen
SMILESC=CC(C)CC.CCc1cccc(C)c1C.[H][H]
InChIInChI=1S/C10H14.C6H12.H2/c1-4-10-7-5-6-8(2)9(10)3;1-4-6(3)5-2;/h5-7H,4H2,1-3H3;4,6H,1,5H2,2-3H3;1H
InChIKeyXLYJOXCSXSKHSX-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
1,2-dimethyl-3-(3-methylbutyl)benzene
CID 86189898
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
CID 12587583
1,2-dimethyl-3-(2-methylbut-3-ynyl)benzene
CID 83922042
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
CID 122553324
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen?
The IUPAC name of 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen (CID 165392060) is 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen.
What is the SMILES notation for 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen?
The canonical SMILES for 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen is C=CC(C)CC.CCc1cccc(C)c1C.[H][H].
What is the InChIKey of 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen?
The InChIKey is XLYJOXCSXSKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C6H12.H2/c1-4-10-7-5-6-8(2)9(10)3;1-4-6(3)5-2;/h5-7H,4H2,1-3H3;4,6H,1,5H2,2-3H3;1H.
What are the key properties of 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen?
1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen has a molecular weight of 220.40 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen is sourced from PubChem (CID 165392060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).