methyl 2-propyltetradecanoate

C18H36O2 — CID 174361538

IUPACmethyl 2-propyltetradecanoate
SMILESCCCCCCCCCCCCC(CCC)C(=O)OC
InChIInChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-16-17(15-5-2)18(19)20-3/h17H,4-16H2,1-3H3
InChIKeyCSAUQGVGDLMBQN-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.89
Rot. Bonds14

About methyl 2-propyltetradecanoate

methyl 2-propyltetradecanoate (PubChem CID 174361538) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is methyl 2-propyltetradecanoate.

Molecular Properties

Compound Namemethyl 2-propyltetradecanoate
PubChem CID174361538
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Namemethyl 2-propyltetradecanoate
SMILESCCCCCCCCCCCCC(CCC)C(=O)OC
InChIInChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-16-17(15-5-2)18(19)20-3/h17H,4-16H2,1-3H3
InChIKeyCSAUQGVGDLMBQN-UHFFFAOYSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-undecyltridecanoate
CID 176610383
methyl (Z)-2-propyloctadec-9-enoate
CID 174670601
methyl 6-hydroxy-2-propylhexanoate
CID 176968447
2-propylnonanoyl 2-propylnonanoate
CID 54359138
dimethyl (2S)-2-tetradecylnonanedioate
CID 98231179
dimethyl 2-tetradecylnonanedioate
CID 4222825
2-propyldodecaneperoxoic acid
CID 23173793
methyl 4-bromo-2-propyldecanoate
CID 134995742
propyl 2-propyldecanoate
CID 138561183
hydroxymethyl 2-propyldodecanoate
CID 175526822
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010

Frequently Asked Questions

What is the IUPAC name of methyl 2-propyltetradecanoate?
The IUPAC name of methyl 2-propyltetradecanoate (CID 174361538) is methyl 2-propyltetradecanoate.
What is the SMILES notation for methyl 2-propyltetradecanoate?
The canonical SMILES for methyl 2-propyltetradecanoate is CCCCCCCCCCCCC(CCC)C(=O)OC.
What is the InChIKey of methyl 2-propyltetradecanoate?
The InChIKey is CSAUQGVGDLMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-4-6-7-8-9-10-11-12-13-14-16-17(15-5-2)18(19)20-3/h17H,4-16H2,1-3H3.
What are the key properties of methyl 2-propyltetradecanoate?
methyl 2-propyltetradecanoate has a molecular weight of 284.48 g/mol, XLogP of 5.89, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyltetradecanoate is sourced from PubChem (CID 174361538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).