ethyl propanoate;methane

C11H34O2 — CID 161360642

IUPACethyl propanoate;methane
SMILESC.C.C.C.C.C.CCOC(=O)CC
InChIInChI=1S/C5H10O2.6CH4/c1-3-5(6)7-4-2;;;;;;/h3-4H2,1-2H3;6*1H4
InChIKeyVPCWTSAPBQUTKC-UHFFFAOYSA-N
MW198.39 g/mol
LogP4.78
Rot. Bonds2

About ethyl propanoate;methane

ethyl propanoate;methane (PubChem CID 161360642) has the molecular formula C11H34O2 and a molecular weight of 198.39 g/mol. Its IUPAC name is ethyl propanoate;methane.

Molecular Properties

Compound Nameethyl propanoate;methane
PubChem CID161360642
Molecular FormulaC11H34O2
Molecular Weight198.39 g/mol
Exact Mass198.26
IUPAC Nameethyl propanoate;methane
SMILESC.C.C.C.C.C.CCOC(=O)CC
InChIInChI=1S/C5H10O2.6CH4/c1-3-5(6)7-4-2;;;;;;/h3-4H2,1-2H3;6*1H4
InChIKeyVPCWTSAPBQUTKC-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl propanoate;methane?
The IUPAC name of ethyl propanoate;methane (CID 161360642) is ethyl propanoate;methane.
What is the SMILES notation for ethyl propanoate;methane?
The canonical SMILES for ethyl propanoate;methane is C.C.C.C.C.C.CCOC(=O)CC.
What is the InChIKey of ethyl propanoate;methane?
The InChIKey is VPCWTSAPBQUTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.6CH4/c1-3-5(6)7-4-2;;;;;;/h3-4H2,1-2H3;6*1H4.
What are the key properties of ethyl propanoate;methane?
ethyl propanoate;methane has a molecular weight of 198.39 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propanoate;methane is sourced from PubChem (CID 161360642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).