prop-2-enyl hydrogen carbonate

C4H6O3 — CID 10953437

IUPACprop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O
InChIInChI=1S/C4H6O3/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyDQRVWGKCDJKPAQ-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.87
Rot. Bonds2

About prop-2-enyl hydrogen carbonate

prop-2-enyl hydrogen carbonate (PubChem CID 10953437) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is prop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Nameprop-2-enyl hydrogen carbonate
PubChem CID10953437
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Nameprop-2-enyl hydrogen carbonate
SMILESC=CCOC(=O)O
InChIInChI=1S/C4H6O3/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyDQRVWGKCDJKPAQ-UHFFFAOYSA-N
XLogP0.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 84764
CID 84764
CID 23717119
CID 23717119
CID 53920164
CID 53920164
CID 129822378
CID 129822378
CID 23455910
CID 23455910
CID 87074468
CID 87074468
CID 141160630
CID 141160630
CID 154021640
CID 154021640
CID 154021642
CID 154021642
CID 154021645
CID 154021645
CID 154021651
CID 154021651
CID 175035553
CID 175035553

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl hydrogen carbonate?
The IUPAC name of prop-2-enyl hydrogen carbonate (CID 10953437) is prop-2-enyl hydrogen carbonate.
What is the SMILES notation for prop-2-enyl hydrogen carbonate?
The canonical SMILES for prop-2-enyl hydrogen carbonate is C=CCOC(=O)O.
What is the InChIKey of prop-2-enyl hydrogen carbonate?
The InChIKey is DQRVWGKCDJKPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6).
What are the key properties of prop-2-enyl hydrogen carbonate?
prop-2-enyl hydrogen carbonate has a molecular weight of 102.09 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl hydrogen carbonate is sourced from PubChem (CID 10953437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).