methanol;methyl decanoate

C12H26O3 — CID 174459243

IUPACmethanol;methyl decanoate
SMILESCCCCCCCCCC(=O)OC.CO
InChIInChI=1S/C11H22O2.CH4O/c1-3-4-5-6-7-8-9-10-11(12)13-2;1-2/h3-10H2,1-2H3;2H,1H3
InChIKeyPOLWYTPPAXTUHV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.91
Rot. Bonds8

About methanol;methyl decanoate

methanol;methyl decanoate (PubChem CID 174459243) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is methanol;methyl decanoate.

Molecular Properties

Compound Namemethanol;methyl decanoate
PubChem CID174459243
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Namemethanol;methyl decanoate
SMILESCCCCCCCCCC(=O)OC.CO
InChIInChI=1S/C11H22O2.CH4O/c1-3-4-5-6-7-8-9-10-11(12)13-2;1-2/h3-10H2,1-2H3;2H,1H3
InChIKeyPOLWYTPPAXTUHV-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.91
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

methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
potassium;hydride;methyl octadecanoate
CID 175153010
ethane;methyl hexanoate
CID 159004993
methyl 6-oxoicosanoate
CID 57100590
methyl 8-oxotridecanoate
CID 14454473
methyl 7-oxoicosanoate
CID 86186885

Frequently Asked Questions

What is the IUPAC name of methanol;methyl decanoate?
The IUPAC name of methanol;methyl decanoate (CID 174459243) is methanol;methyl decanoate.
What is the SMILES notation for methanol;methyl decanoate?
The canonical SMILES for methanol;methyl decanoate is CCCCCCCCCC(=O)OC.CO.
What is the InChIKey of methanol;methyl decanoate?
The InChIKey is POLWYTPPAXTUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.CH4O/c1-3-4-5-6-7-8-9-10-11(12)13-2;1-2/h3-10H2,1-2H3;2H,1H3.
What are the key properties of methanol;methyl decanoate?
methanol;methyl decanoate has a molecular weight of 218.34 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl decanoate is sourced from PubChem (CID 174459243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).