ethene;prop-2-enyl hydrogen carbonate

C6H10O3 — CID 87852162

IUPACethene;prop-2-enyl hydrogen carbonate
SMILESC=C.C=CCOC(=O)O
InChIInChI=1S/C4H6O3.C2H4/c1-2-3-7-4(5)6;1-2/h2H,1,3H2,(H,5,6);1-2H2
InChIKeyBXEAREJPVRGDKY-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.67
Rot. Bonds2

About ethene;prop-2-enyl hydrogen carbonate

ethene;prop-2-enyl hydrogen carbonate (PubChem CID 87852162) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethene;prop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Nameethene;prop-2-enyl hydrogen carbonate
PubChem CID87852162
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethene;prop-2-enyl hydrogen carbonate
SMILESC=C.C=CCOC(=O)O
InChIInChI=1S/C4H6O3.C2H4/c1-2-3-7-4(5)6;1-2/h2H,1,3H2,(H,5,6);1-2H2
InChIKeyBXEAREJPVRGDKY-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;prop-2-enyl hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethene;prop-2-enyl hydrogen carbonate?
The IUPAC name of ethene;prop-2-enyl hydrogen carbonate (CID 87852162) is ethene;prop-2-enyl hydrogen carbonate.
What is the SMILES notation for ethene;prop-2-enyl hydrogen carbonate?
The canonical SMILES for ethene;prop-2-enyl hydrogen carbonate is C=C.C=CCOC(=O)O.
What is the InChIKey of ethene;prop-2-enyl hydrogen carbonate?
The InChIKey is BXEAREJPVRGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C2H4/c1-2-3-7-4(5)6;1-2/h2H,1,3H2,(H,5,6);1-2H2.
What are the key properties of ethene;prop-2-enyl hydrogen carbonate?
ethene;prop-2-enyl hydrogen carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;prop-2-enyl hydrogen carbonate is sourced from PubChem (CID 87852162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).