methyl 2-dodecoxypropanoate

C16H32O3 — CID 86244254

IUPACmethyl 2-dodecoxypropanoate
SMILESCCCCCCCCCCCCOC(C)C(=O)OC
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(2)16(17)18-3/h15H,4-14H2,1-3H3
InChIKeyCOWGMUAUHOLIQF-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.49
Rot. Bonds13

About methyl 2-dodecoxypropanoate

methyl 2-dodecoxypropanoate (PubChem CID 86244254) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is methyl 2-dodecoxypropanoate.

Molecular Properties

Compound Namemethyl 2-dodecoxypropanoate
PubChem CID86244254
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Namemethyl 2-dodecoxypropanoate
SMILESCCCCCCCCCCCCOC(C)C(=O)OC
InChIInChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(2)16(17)18-3/h15H,4-14H2,1-3H3
InChIKeyCOWGMUAUHOLIQF-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-hexoxypropanoate
CID 103337819
ethyl 2-nonoxypropanoate
CID 88680880
2-pentoxypropanamide
CID 62900296
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
tert-butyl 2-heptoxypropanoate
CID 66337184
methyl 2-hydroxy-3-octadecoxybutanoate
CID 175428260
(2S)-2-heptoxypropanoic acid
CID 22301798
3-pentoxybutan-2-one
CID 43801294
azane;methyl tetradecyl carbonate
CID 118914581
1-O-heptyl 3-O-methyl 2-methylpropanedioate
CID 57077304
heptyl 2-ethoxypropanoate
CID 175702782
methyl 2-(2-hydroxyethoxy)propanoate
CID 15099863

Frequently Asked Questions

What is the IUPAC name of methyl 2-dodecoxypropanoate?
The IUPAC name of methyl 2-dodecoxypropanoate (CID 86244254) is methyl 2-dodecoxypropanoate.
What is the SMILES notation for methyl 2-dodecoxypropanoate?
The canonical SMILES for methyl 2-dodecoxypropanoate is CCCCCCCCCCCCOC(C)C(=O)OC.
What is the InChIKey of methyl 2-dodecoxypropanoate?
The InChIKey is COWGMUAUHOLIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(2)16(17)18-3/h15H,4-14H2,1-3H3.
What are the key properties of methyl 2-dodecoxypropanoate?
methyl 2-dodecoxypropanoate has a molecular weight of 272.43 g/mol, XLogP of 4.49, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dodecoxypropanoate is sourced from PubChem (CID 86244254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).