acetylene;1,2-xylene

C12H14 — CID 175515922

IUPACacetylene;1,2-xylene
SMILESC#C.C#C.Cc1ccccc1C
InChIInChI=1S/C8H10.2C2H2/c1-7-5-3-4-6-8(7)2;2*1-2/h3-6H,1-2H3;2*1-2H
InChIKeyASVRNBUIPUIQQL-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.80
Rot. Bonds

About acetylene;1,2-xylene

acetylene;1,2-xylene (PubChem CID 175515922) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is acetylene;1,2-xylene.

Molecular Properties

Compound Nameacetylene;1,2-xylene
PubChem CID175515922
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Nameacetylene;1,2-xylene
SMILESC#C.C#C.Cc1ccccc1C
InChIInChI=1S/C8H10.2C2H2/c1-7-5-3-4-6-8(7)2;2*1-2/h3-6H,1-2H3;2*1-2H
InChIKeyASVRNBUIPUIQQL-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.80
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

1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
1,2-xylene;zirconium
CID 174354618
vanadium;1,2-xylene
CID 143581691
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
azane;1,2-xylene;hydrate
CID 158522930
sodium;hydride;1,2-xylene
CID 173009635
ethane;methane;pentakis(1,2-xylene)
CID 158909718
CID 174747854
CID 174747854

Frequently Asked Questions

What is the IUPAC name of acetylene;1,2-xylene?
The IUPAC name of acetylene;1,2-xylene (CID 175515922) is acetylene;1,2-xylene.
What is the SMILES notation for acetylene;1,2-xylene?
The canonical SMILES for acetylene;1,2-xylene is C#C.C#C.Cc1ccccc1C.
What is the InChIKey of acetylene;1,2-xylene?
The InChIKey is ASVRNBUIPUIQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C2H2/c1-7-5-3-4-6-8(7)2;2*1-2/h3-6H,1-2H3;2*1-2H.
What are the key properties of acetylene;1,2-xylene?
acetylene;1,2-xylene has a molecular weight of 158.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,2-xylene is sourced from PubChem (CID 175515922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).