acetic acid;benzene;ethene

C10H14O2 — CID 70594790

IUPACacetic acid;benzene;ethene
SMILESC=C.CC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C2H4O2.C2H4/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-6H;1H3,(H,3,4);1-2H2
InChIKeyRRHKCCAOUUPFBO-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.58
Rot. Bonds

About acetic acid;benzene;ethene

acetic acid;benzene;ethene (PubChem CID 70594790) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is acetic acid;benzene;ethene.

Molecular Properties

Compound Nameacetic acid;benzene;ethene
PubChem CID70594790
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameacetic acid;benzene;ethene
SMILESC=C.CC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C2H4O2.C2H4/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-6H;1H3,(H,3,4);1-2H2
InChIKeyRRHKCCAOUUPFBO-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;benzene;ethene?
The IUPAC name of acetic acid;benzene;ethene (CID 70594790) is acetic acid;benzene;ethene.
What is the SMILES notation for acetic acid;benzene;ethene?
The canonical SMILES for acetic acid;benzene;ethene is C=C.CC(=O)O.c1ccccc1.
What is the InChIKey of acetic acid;benzene;ethene?
The InChIKey is RRHKCCAOUUPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H4O2.C2H4/c1-2-4-6-5-3-1;1-2(3)4;1-2/h1-6H;1H3,(H,3,4);1-2H2.
What are the key properties of acetic acid;benzene;ethene?
acetic acid;benzene;ethene has a molecular weight of 166.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;benzene;ethene is sourced from PubChem (CID 70594790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).