ethyl prop-1-en-2-yl carbonate

C6H10O3 — CID 12632745

IUPACethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCC
InChIInChI=1S/C6H10O3/c1-4-8-6(7)9-5(2)3/h2,4H2,1,3H3
InChIKeyBGMVLBBDIMNGTP-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.69
Rot. Bonds2

About ethyl prop-1-en-2-yl carbonate

ethyl prop-1-en-2-yl carbonate (PubChem CID 12632745) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethyl prop-1-en-2-yl carbonate.

Molecular Properties

Compound Nameethyl prop-1-en-2-yl carbonate
PubChem CID12632745
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethyl prop-1-en-2-yl carbonate
SMILESC=C(C)OC(=O)OCC
InChIInChI=1S/C6H10O3/c1-4-8-6(7)9-5(2)3/h2,4H2,1,3H3
InChIKeyBGMVLBBDIMNGTP-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl prop-1-en-2-yl carbonate?
The IUPAC name of ethyl prop-1-en-2-yl carbonate (CID 12632745) is ethyl prop-1-en-2-yl carbonate.
What is the SMILES notation for ethyl prop-1-en-2-yl carbonate?
The canonical SMILES for ethyl prop-1-en-2-yl carbonate is C=C(C)OC(=O)OCC.
What is the InChIKey of ethyl prop-1-en-2-yl carbonate?
The InChIKey is BGMVLBBDIMNGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-8-6(7)9-5(2)3/h2,4H2,1,3H3.
What are the key properties of ethyl prop-1-en-2-yl carbonate?
ethyl prop-1-en-2-yl carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-1-en-2-yl carbonate is sourced from PubChem (CID 12632745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).