tert-butyl 2-propyldecanoate

C17H34O2 — CID 141018568

IUPACtert-butyl 2-propyldecanoate
SMILESCCCCCCCCC(CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O2/c1-6-8-9-10-11-12-14-15(13-7-2)16(18)19-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyJAYGEYSNWVJMBW-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.49
Rot. Bonds10

About tert-butyl 2-propyldecanoate

tert-butyl 2-propyldecanoate (PubChem CID 141018568) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is tert-butyl 2-propyldecanoate.

Molecular Properties

Compound Nametert-butyl 2-propyldecanoate
PubChem CID141018568
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nametert-butyl 2-propyldecanoate
SMILESCCCCCCCCC(CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O2/c1-6-8-9-10-11-12-14-15(13-7-2)16(18)19-17(3,4)5/h15H,6-14H2,1-5H3
InChIKeyJAYGEYSNWVJMBW-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.49
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

tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
3-[(2-methylpropan-2-yl)oxycarbonyl]undecanoic acid
CID 15500493
2-propylnonanoyl 2-propylnonanoate
CID 54359138
tert-butyl 2-aminooctadecanoate
CID 85318598
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
methyl 2-propyltetradecanoate
CID 174361538
2-propyldodecaneperoxoic acid
CID 23173793
tert-butyl 2-propylnon-7-enoate
CID 175432336
2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544
tert-butyl (2R)-2-bromoundecanoate
CID 139709166
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propyldecanoate?
The IUPAC name of tert-butyl 2-propyldecanoate (CID 141018568) is tert-butyl 2-propyldecanoate.
What is the SMILES notation for tert-butyl 2-propyldecanoate?
The canonical SMILES for tert-butyl 2-propyldecanoate is CCCCCCCCC(CCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-propyldecanoate?
The InChIKey is JAYGEYSNWVJMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-6-8-9-10-11-12-14-15(13-7-2)16(18)19-17(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of tert-butyl 2-propyldecanoate?
tert-butyl 2-propyldecanoate has a molecular weight of 270.46 g/mol, XLogP of 5.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propyldecanoate is sourced from PubChem (CID 141018568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).