[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate

C12H24O3 — CID 124738332

IUPAC[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@H](C)CC(C)(C)O
InChIInChI=1S/C12H24O3/c1-9(2)6-7-11(13)15-10(3)8-12(4,5)14/h9-10,14H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyQSSSNOFLCMCMMP-SNVBAGLBSA-N
MW216.32 g/mol
LogP2.52
Rot. Bonds6

About [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate

[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate (PubChem CID 124738332) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate.

Molecular Properties

Compound Name[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate
PubChem CID124738332
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[C@H](C)CC(C)(C)O
InChIInChI=1S/C12H24O3/c1-9(2)6-7-11(13)15-10(3)8-12(4,5)14/h9-10,14H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyQSSSNOFLCMCMMP-SNVBAGLBSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methylpentanoate
CID 14724205
dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
[(2R)-1,5-bis[[(2R)-3,3-dimethylbutan-2-yl]oxy]-1,5-dioxopentan-2-yl]azanium
CID 2037335
4-propoxyhexan-2-yl 4-methylpentanoate
CID 145114470
propanoyl 4-methylpentanoate
CID 175419414
methyl 4-methylpentaneperoxoate
CID 89052097
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
butan-2-yl 4-methylhexanoate
CID 137387388
[(2S)-1-[(2S)-2-amino-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoyl]oxypropan-2-yl] 4-methylpentanoate
CID 91246591
6-methylheptan-2-yl 4-ethoxybutanoate
CID 134561656
1-O-[(2R)-butan-2-yl] 4-O-[(2S)-butan-2-yl] butanedioate
CID 92854984
2,2,2-trichloroethyl 4-methylpentanoate
CID 527273

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate?
The IUPAC name of [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate (CID 124738332) is [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate.
What is the SMILES notation for [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate?
The canonical SMILES for [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate is CC(C)CCC(=O)O[C@H](C)CC(C)(C)O.
What is the InChIKey of [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate?
The InChIKey is QSSSNOFLCMCMMP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24O3/c1-9(2)6-7-11(13)15-10(3)8-12(4,5)14/h9-10,14H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate?
[(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate has a molecular weight of 216.32 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-hydroxy-4-methylpentan-2-yl] 4-methylpentanoate is sourced from PubChem (CID 124738332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).