ethyl 3-hydroxy-2-propan-2-yldecanoate

C15H30O3 — CID 15441038

IUPACethyl 3-hydroxy-2-propan-2-yldecanoate
SMILESCCCCCCCC(O)C(C(=O)OCC)C(C)C
InChIInChI=1S/C15H30O3/c1-5-7-8-9-10-11-13(16)14(12(3)4)15(17)18-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyAJDFJBJYGANFNM-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.54
Rot. Bonds10

About ethyl 3-hydroxy-2-propan-2-yldecanoate

ethyl 3-hydroxy-2-propan-2-yldecanoate (PubChem CID 15441038) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-propan-2-yldecanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-propan-2-yldecanoate
PubChem CID15441038
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Nameethyl 3-hydroxy-2-propan-2-yldecanoate
SMILESCCCCCCCC(O)C(C(=O)OCC)C(C)C
InChIInChI=1S/C15H30O3/c1-5-7-8-9-10-11-13(16)14(12(3)4)15(17)18-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyAJDFJBJYGANFNM-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.54
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 3-hydroxy-2-propan-2-ylheptanoate
CID 62397377
ethyl (2R,3S)-2,3-dihydroxydecanoate
CID 11107207
ethyl (2R,3R)-2-amino-3-hydroxyhexadecanoate
CID 11638254
ethyl 3-hydroxy-2-octyltetradecanoate
CID 175541999
ethyl (2S,3S)-2-bromo-3-hydroxydecanoate
CID 121010928
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
ethyl (2S,3S)-2-amino-3-hydroxyoctanoate;hydrochloride
CID 166438814
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hydroxyheptanoate
CID 12743783
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2,4-di(propan-2-yl)tetradecanoate
CID 175399159
2,3-dihydroxynonadecanoyl 2,3-dihydroxynonadecanoate
CID 87065698

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-propan-2-yldecanoate?
The IUPAC name of ethyl 3-hydroxy-2-propan-2-yldecanoate (CID 15441038) is ethyl 3-hydroxy-2-propan-2-yldecanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-propan-2-yldecanoate?
The canonical SMILES for ethyl 3-hydroxy-2-propan-2-yldecanoate is CCCCCCCC(O)C(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 3-hydroxy-2-propan-2-yldecanoate?
The InChIKey is AJDFJBJYGANFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-7-8-9-10-11-13(16)14(12(3)4)15(17)18-6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-2-propan-2-yldecanoate?
ethyl 3-hydroxy-2-propan-2-yldecanoate has a molecular weight of 258.40 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-propan-2-yldecanoate is sourced from PubChem (CID 15441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).