acetic acid;chloroethene;ethene

C6H11ClO2 — CID 88762301

IUPACacetic acid;chloroethene;ethene
SMILESC=C.C=CCl.CC(=O)O
InChIInChI=1S/C2H3Cl.C2H4O2.C2H4/c1-2-3;1-2(3)4;1-2/h2H,1H2;1H3,(H,3,4);1-2H2
InChIKeyHOCVBLVNCCMUAT-UHFFFAOYSA-N
MW150.60 g/mol
LogP2.26
Rot. Bonds

About acetic acid;chloroethene;ethene

acetic acid;chloroethene;ethene (PubChem CID 88762301) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is acetic acid;chloroethene;ethene.

Molecular Properties

Compound Nameacetic acid;chloroethene;ethene
PubChem CID88762301
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Nameacetic acid;chloroethene;ethene
SMILESC=C.C=CCl.CC(=O)O
InChIInChI=1S/C2H3Cl.C2H4O2.C2H4/c1-2-3;1-2(3)4;1-2/h2H,1H2;1H3,(H,3,4);1-2H2
InChIKeyHOCVBLVNCCMUAT-UHFFFAOYSA-N
XLogP2.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 52.26
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;chloroethene;ethene?
The IUPAC name of acetic acid;chloroethene;ethene (CID 88762301) is acetic acid;chloroethene;ethene.
What is the SMILES notation for acetic acid;chloroethene;ethene?
The canonical SMILES for acetic acid;chloroethene;ethene is C=C.C=CCl.CC(=O)O.
What is the InChIKey of acetic acid;chloroethene;ethene?
The InChIKey is HOCVBLVNCCMUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Cl.C2H4O2.C2H4/c1-2-3;1-2(3)4;1-2/h2H,1H2;1H3,(H,3,4);1-2H2.
What are the key properties of acetic acid;chloroethene;ethene?
acetic acid;chloroethene;ethene has a molecular weight of 150.60 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;chloroethene;ethene is sourced from PubChem (CID 88762301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).