ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate

C16H24O3 — CID 62398393

IUPACethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
SMILESCCOC(=O)C(C)(C)C(C)(O)CCc1ccccc1
InChIInChI=1S/C16H24O3/c1-5-19-14(17)15(2,3)16(4,18)12-11-13-9-7-6-8-10-13/h6-10,18H,5,11-12H2,1-4H3
InChIKeySBVKNWNYUHXMPZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.96
Rot. Bonds6

About ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate

ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate (PubChem CID 62398393) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
PubChem CID62398393
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate
SMILESCCOC(=O)C(C)(C)C(C)(O)CCc1ccccc1
InChIInChI=1S/C16H24O3/c1-5-19-14(17)15(2,3)16(4,18)12-11-13-9-7-6-8-10-13/h6-10,18H,5,11-12H2,1-4H3
InChIKeySBVKNWNYUHXMPZ-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-amino-2-(2-phenylethyl)propanedioate
CID 142661399
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
ethyl 2-cyano-2-hydroxy-4-phenylbutanoate
CID 139254749
diethyl 3-benzyl-2-hydroxy-2-(2-phenylethyl)butanedioate
CID 66648766
ethyl (2R)-2-hydroxy-2-(nitromethyl)-4-phenylbutanoate
CID 11780490
1-O-ethyl 3-O-(3-phenylpropyl) 2,2-dimethylpropanedioate
CID 91710074
3,4,4,5-tetramethyl-1-phenylhex-5-en-3-ol
CID 101413425
ethyl 2-hydroxy-2-phenylmethoxypropanoate
CID 18454908
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
benzyl carbamate;(1-ethoxy-2-methyl-1-oxo-4-phenylbutan-2-yl)-oxophosphanium
CID 173327424
diethyl 2-[3-(4-methylphenyl)propyl]-2-(2-phenylethyl)propanedioate
CID 70552408
2-(ethoxycarbonylamino)-2-hydroxy-4-phenylbutanoic acid
CID 19604478

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate?
The IUPAC name of ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate (CID 62398393) is ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate.
What is the SMILES notation for ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate?
The canonical SMILES for ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate is CCOC(=O)C(C)(C)C(C)(O)CCc1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate?
The InChIKey is SBVKNWNYUHXMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-19-14(17)15(2,3)16(4,18)12-11-13-9-7-6-8-10-13/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate?
ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate has a molecular weight of 264.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpentanoate is sourced from PubChem (CID 62398393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).