acetylene;1-ethyl-2,3-dimethylbenzene

C12H16 — CID 174688234

IUPACacetylene;1-ethyl-2,3-dimethylbenzene
SMILESC#C.CCc1cccc(C)c1C
InChIInChI=1S/C10H14.C2H2/c1-4-10-7-5-6-8(2)9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H
InChIKeyYXIYBMTUWQWWLV-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.12
Rot. Bonds1

About acetylene;1-ethyl-2,3-dimethylbenzene

acetylene;1-ethyl-2,3-dimethylbenzene (PubChem CID 174688234) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is acetylene;1-ethyl-2,3-dimethylbenzene.

Molecular Properties

Compound Nameacetylene;1-ethyl-2,3-dimethylbenzene
PubChem CID174688234
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Nameacetylene;1-ethyl-2,3-dimethylbenzene
SMILESC#C.CCc1cccc(C)c1C
InChIInChI=1S/C10H14.C2H2/c1-4-10-7-5-6-8(2)9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H
InChIKeyYXIYBMTUWQWWLV-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
CID 158943282
1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen
CID 165392060
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
1-[[4-[(2,3-dimethylphenyl)methyl]phenyl]methyl]-2,3-dimethylbenzene
CID 123304206
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
3-ethyl-2-methylaniline
CID 19879636
N-[(2,3-dimethylphenyl)methyl]-N-ethylethanamine
CID 12587583
(2,3-dimethylphenyl)methyl-trimethylsilane
CID 71387326
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488

Frequently Asked Questions

What is the IUPAC name of acetylene;1-ethyl-2,3-dimethylbenzene?
The IUPAC name of acetylene;1-ethyl-2,3-dimethylbenzene (CID 174688234) is acetylene;1-ethyl-2,3-dimethylbenzene.
What is the SMILES notation for acetylene;1-ethyl-2,3-dimethylbenzene?
The canonical SMILES for acetylene;1-ethyl-2,3-dimethylbenzene is C#C.CCc1cccc(C)c1C.
What is the InChIKey of acetylene;1-ethyl-2,3-dimethylbenzene?
The InChIKey is YXIYBMTUWQWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H2/c1-4-10-7-5-6-8(2)9(10)3;1-2/h5-7H,4H2,1-3H3;1-2H.
What are the key properties of acetylene;1-ethyl-2,3-dimethylbenzene?
acetylene;1-ethyl-2,3-dimethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-ethyl-2,3-dimethylbenzene is sourced from PubChem (CID 174688234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).