ethyl prop-1-en-2-yl carbonate;propane

C9H18O3 — CID 88770385

IUPACethyl prop-1-en-2-yl carbonate;propane
SMILESC=C(C)OC(=O)OCC.CCC
InChIInChI=1S/C6H10O3.C3H8/c1-4-8-6(7)9-5(2)3;1-3-2/h2,4H2,1,3H3;3H2,1-2H3
InChIKeySPPOBDZZJSZFMF-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.11
Rot. Bonds2

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

ethyl prop-1-en-2-yl carbonate;propane (PubChem CID 88770385) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl prop-1-en-2-yl carbonate;propane.

Molecular Properties

Compound Nameethyl prop-1-en-2-yl carbonate;propane
PubChem CID88770385
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethyl prop-1-en-2-yl carbonate;propane
SMILESC=C(C)OC(=O)OCC.CCC
InChIInChI=1S/C6H10O3.C3H8/c1-4-8-6(7)9-5(2)3;1-3-2/h2,4H2,1,3H3;3H2,1-2H3
InChIKeySPPOBDZZJSZFMF-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.11
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;propane?
The IUPAC name of ethyl prop-1-en-2-yl carbonate;propane (CID 88770385) is ethyl prop-1-en-2-yl carbonate;propane.
What is the SMILES notation for ethyl prop-1-en-2-yl carbonate;propane?
The canonical SMILES for ethyl prop-1-en-2-yl carbonate;propane is C=C(C)OC(=O)OCC.CCC.
What is the InChIKey of ethyl prop-1-en-2-yl carbonate;propane?
The InChIKey is SPPOBDZZJSZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8/c1-4-8-6(7)9-5(2)3;1-3-2/h2,4H2,1,3H3;3H2,1-2H3.
What are the key properties of ethyl prop-1-en-2-yl carbonate;propane?
ethyl prop-1-en-2-yl carbonate;propane has a molecular weight of 174.24 g/mol, XLogP of 3.11, 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;propane is sourced from PubChem (CID 88770385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).