methyl tetradecanoate

C30H60O4 — CID 89052795

IUPACmethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/2C15H30O2/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h2*3-14H2,1-2H3
InChIKeyHUIKQZAIRGZSAI-UHFFFAOYSA-N
MW484.81 g/mol
LogP9.72
Rot. Bonds24

About methyl tetradecanoate

methyl tetradecanoate (PubChem CID 89052795) has the molecular formula C30H60O4 and a molecular weight of 484.81 g/mol. Its IUPAC name is methyl tetradecanoate.

Molecular Properties

Compound Namemethyl tetradecanoate
PubChem CID89052795
Molecular FormulaC30H60O4
Molecular Weight484.81 g/mol
Exact Mass484.45
IUPAC Namemethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/2C15H30O2/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h2*3-14H2,1-2H3
InChIKeyHUIKQZAIRGZSAI-UHFFFAOYSA-N
XLogP9.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
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 methyl tetradecanoate?
The IUPAC name of methyl tetradecanoate (CID 89052795) is methyl tetradecanoate.
What is the SMILES notation for methyl tetradecanoate?
The canonical SMILES for methyl tetradecanoate is CCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl tetradecanoate?
The InChIKey is HUIKQZAIRGZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H30O2/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h2*3-14H2,1-2H3.
What are the key properties of methyl tetradecanoate?
methyl tetradecanoate has a molecular weight of 484.81 g/mol, XLogP of 9.72, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tetradecanoate is sourced from PubChem (CID 89052795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).