acetylene;2-ethenyl-1,3-dimethylbenzene

C12H14 — CID 142972019

IUPACacetylene;2-ethenyl-1,3-dimethylbenzene
SMILESC#C.C=Cc1c(C)cccc1C
InChIInChI=1S/C10H12.C2H2/c1-4-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H
InChIKeyIBHRDWNWTNOCKM-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.20
Rot. Bonds1

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

acetylene;2-ethenyl-1,3-dimethylbenzene (PubChem CID 142972019) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is acetylene;2-ethenyl-1,3-dimethylbenzene.

Molecular Properties

Compound Nameacetylene;2-ethenyl-1,3-dimethylbenzene
PubChem CID142972019
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nameacetylene;2-ethenyl-1,3-dimethylbenzene
SMILESC#C.C=Cc1c(C)cccc1C
InChIInChI=1S/C10H12.C2H2/c1-4-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H
InChIKeyIBHRDWNWTNOCKM-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.20
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-cyclopropyl-2-ethenyl-3-methylbenzene
CID 145207304
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304
sodium;2-ethenyl-3-methylbenzenesulfonate;hydrate
CID 141296365
2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
CID 143715386
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
1,2-bis(ethenyl)-3-(2-methylphenyl)benzene
CID 143516768
2-ethenyl-1-[1-(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 143770467
2,6-dimethylbenzaldehyde
CID 159545887
2-ethenyl-1,3,5-trimethylbenzene
CID 158735169
2-ethenyl-3,6-dimethylbenzenethiol
CID 143494657
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236

Frequently Asked Questions

What is the IUPAC name of acetylene;2-ethenyl-1,3-dimethylbenzene?
The IUPAC name of acetylene;2-ethenyl-1,3-dimethylbenzene (CID 142972019) is acetylene;2-ethenyl-1,3-dimethylbenzene.
What is the SMILES notation for acetylene;2-ethenyl-1,3-dimethylbenzene?
The canonical SMILES for acetylene;2-ethenyl-1,3-dimethylbenzene is C#C.C=Cc1c(C)cccc1C.
What is the InChIKey of acetylene;2-ethenyl-1,3-dimethylbenzene?
The InChIKey is IBHRDWNWTNOCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H2/c1-4-10-8(2)6-5-7-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H.
What are the key properties of acetylene;2-ethenyl-1,3-dimethylbenzene?
acetylene;2-ethenyl-1,3-dimethylbenzene has a molecular weight of 158.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-ethenyl-1,3-dimethylbenzene is sourced from PubChem (CID 142972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).