ethyl decanoate;methanol

C13H28O3 — CID 161391102

IUPACethyl decanoate;methanol
SMILESCCCCCCCCCC(=O)OCC.CO
InChIInChI=1S/C12H24O2.CH4O/c1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-2/h3-11H2,1-2H3;2H,1H3
InChIKeyVSZNVKJTOXPNHN-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.30
Rot. Bonds9

About ethyl decanoate;methanol

ethyl decanoate;methanol (PubChem CID 161391102) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is ethyl decanoate;methanol.

Molecular Properties

Compound Nameethyl decanoate;methanol
PubChem CID161391102
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Nameethyl decanoate;methanol
SMILESCCCCCCCCCC(=O)OCC.CO
InChIInChI=1S/C12H24O2.CH4O/c1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-2/h3-11H2,1-2H3;2H,1H3
InChIKeyVSZNVKJTOXPNHN-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl hexanoate;gadolinium
CID 174444534
ethyl undecanoate
CID 12327
dichloromethane;ethyl nonanoate;methanol
CID 87514149
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;nickel(2+)
CID 162067155
ethyl hexanoate;mercury
CID 174624991
ethyl hexanoate;gallane
CID 174708288
ethyl hexanoate;rhodium
CID 87383837

Frequently Asked Questions

What is the IUPAC name of ethyl decanoate;methanol?
The IUPAC name of ethyl decanoate;methanol (CID 161391102) is ethyl decanoate;methanol.
What is the SMILES notation for ethyl decanoate;methanol?
The canonical SMILES for ethyl decanoate;methanol is CCCCCCCCCC(=O)OCC.CO.
What is the InChIKey of ethyl decanoate;methanol?
The InChIKey is VSZNVKJTOXPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.CH4O/c1-3-5-6-7-8-9-10-11-12(13)14-4-2;1-2/h3-11H2,1-2H3;2H,1H3.
What are the key properties of ethyl decanoate;methanol?
ethyl decanoate;methanol has a molecular weight of 232.36 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl decanoate;methanol is sourced from PubChem (CID 161391102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).