acetylene;anisole

C9H10O — CID 86033716

IUPACacetylene;anisole
SMILESC#C.COc1ccccc1
InChIInChI=1S/C7H8O.C2H2/c1-8-7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H
InChIKeyJGRZOVCPBRJDKA-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.94
Rot. Bonds1

About acetylene;anisole

acetylene;anisole (PubChem CID 86033716) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is acetylene;anisole.

Molecular Properties

Compound Nameacetylene;anisole
PubChem CID86033716
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Nameacetylene;anisole
SMILESC#C.COc1ccccc1
InChIInChI=1S/C7H8O.C2H2/c1-8-7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H
InChIKeyJGRZOVCPBRJDKA-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
anisole;argon;propane
CID 165043377
anisole;trifluoroborane
CID 174665057
anisole;carbanide;ethane;methoxymethane;yttrium
CID 162198050
anisole;diiodozinc
CID 174569089
anisole;1,1'-biphenyl;naphthalene
CID 161250692
anisole;1,4-dichlorobenzene
CID 175517246
anisole;phenylphosphane
CID 142274985
anisole;1,2-difluorobenzene
CID 158594805
anisole;ethane;methane;2-methylpropane
CID 159356491

Frequently Asked Questions

What is the IUPAC name of acetylene;anisole?
The IUPAC name of acetylene;anisole (CID 86033716) is acetylene;anisole.
What is the SMILES notation for acetylene;anisole?
The canonical SMILES for acetylene;anisole is C#C.COc1ccccc1.
What is the InChIKey of acetylene;anisole?
The InChIKey is JGRZOVCPBRJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H2/c1-8-7-5-3-2-4-6-7;1-2/h2-6H,1H3;1-2H.
What are the key properties of acetylene;anisole?
acetylene;anisole has a molecular weight of 134.18 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;anisole is sourced from PubChem (CID 86033716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).