acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene

C14H18 — CID 142986074

IUPACacetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene
SMILESC#C.CC(C)=Cc1ccc(C)cc1C
InChIInChI=1S/C12H16.C2H2/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-2/h5-8H,1-4H3;1-2H
InChIKeyKOXZXPQNVKGIHE-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.98
Rot. Bonds1

About acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene

acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene (PubChem CID 142986074) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene.

Molecular Properties

Compound Nameacetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene
PubChem CID142986074
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Nameacetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene
SMILESC#C.CC(C)=Cc1ccc(C)cc1C
InChIInChI=1S/C12H16.C2H2/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-2/h5-8H,1-4H3;1-2H
InChIKeyKOXZXPQNVKGIHE-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.98
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

O-Xylene
CID 7237
M-Xylene
CID 7929
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Pentylbenzene
CID 10864
1,2,3-Trimethylbenzene
CID 10686
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
1,3-Diethylbenzene
CID 8864
2-Methylstyrene
CID 11904

Frequently Asked Questions

What is the IUPAC name of acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene?
The IUPAC name of acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene (CID 142986074) is acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene.
What is the SMILES notation for acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene?
The canonical SMILES for acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene is C#C.CC(C)=Cc1ccc(C)cc1C.
What is the InChIKey of acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene?
The InChIKey is KOXZXPQNVKGIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H2/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-2/h5-8H,1-4H3;1-2H.
What are the key properties of acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene?
acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene has a molecular weight of 186.30 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,4-dimethyl-1-(2-methylprop-1-enyl)benzene is sourced from PubChem (CID 142986074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).