prop-2-enyl propyl carbonate

C7H12O3 — CID 6420256

IUPACprop-2-enyl propyl carbonate
SMILESC=CCOC(=O)OCCC
InChIInChI=1S/C7H12O3/c1-3-5-9-7(8)10-6-4-2/h3H,1,4-6H2,2H3
InChIKeyQWNFSVYIPSLJNZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.74
Rot. Bonds4

About prop-2-enyl propyl carbonate

prop-2-enyl propyl carbonate (PubChem CID 6420256) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is prop-2-enyl propyl carbonate.

Molecular Properties

Compound Nameprop-2-enyl propyl carbonate
PubChem CID6420256
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameprop-2-enyl propyl carbonate
SMILESC=CCOC(=O)OCCC
InChIInChI=1S/C7H12O3/c1-3-5-9-7(8)10-6-4-2/h3H,1,4-6H2,2H3
InChIKeyQWNFSVYIPSLJNZ-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl propyl carbonate?
The IUPAC name of prop-2-enyl propyl carbonate (CID 6420256) is prop-2-enyl propyl carbonate.
What is the SMILES notation for prop-2-enyl propyl carbonate?
The canonical SMILES for prop-2-enyl propyl carbonate is C=CCOC(=O)OCCC.
What is the InChIKey of prop-2-enyl propyl carbonate?
The InChIKey is QWNFSVYIPSLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-5-9-7(8)10-6-4-2/h3H,1,4-6H2,2H3.
What are the key properties of prop-2-enyl propyl carbonate?
prop-2-enyl propyl carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl propyl carbonate is sourced from PubChem (CID 6420256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).