(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate

C12H24O4 — CID 156555309

IUPAC(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(O)COC(C)C
InChIInChI=1S/C12H24O4/c1-9(2)5-6-12(14)16-8-11(13)7-15-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVZQDPZKUPHQDMG-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.75
Rot. Bonds8

About (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate

(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate (PubChem CID 156555309) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate.

Molecular Properties

Compound Name(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate
PubChem CID156555309
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate
SMILESCC(C)CCC(=O)OCC(O)COC(C)C
InChIInChI=1S/C12H24O4/c1-9(2)5-6-12(14)16-8-11(13)7-15-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVZQDPZKUPHQDMG-UHFFFAOYSA-N
XLogP1.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 12-methyltridecanoate
CID 131799652
[(2R)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 19-methylicosanoate
CID 131799886
[(2R)-2-hydroxy-3-(12-methyltridecanoyloxy)propyl] 18-methylnonadecanoate
CID 131799718
[(2S)-2-hydroxy-3-(11-methyldodecanoyloxy)propyl] 13-methyltetradecanoate
CID 131799782
[(2S)-2-hydroxy-3-(17-methyloctadecanoyloxy)propyl] 22-methyltricosanoate
CID 131800846
[2-hydroxy-3-(15-methylhexadecanoyloxy)propyl] 15-methylhexadecanoate
CID 131800112
[(2R)-2-hydroxy-3-(14-methylpentadecanoyloxy)propyl] 17-methyloctadecanoate
CID 131799984
[(2S)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 15-methylhexadecanoate
CID 131800040
[(2R)-2-hydroxy-3-(10-methylundecanoyloxy)propyl] 19-methylicosanoate
CID 131799441
[(2S)-2-hydroxy-3-(16-methylheptadecanoyloxy)propyl] icosanoate
CID 131800490
[(2R)-3-dodecanoyloxy-2-hydroxypropyl] 12-methyltridecanoate
CID 131799650
[(2R)-2-hydroxy-3-(12-methyltridecanoyloxy)propyl] nonadecanoate
CID 131799710

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate?
The IUPAC name of (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate (CID 156555309) is (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate.
What is the SMILES notation for (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate?
The canonical SMILES for (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate is CC(C)CCC(=O)OCC(O)COC(C)C.
What is the InChIKey of (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate?
The InChIKey is VZQDPZKUPHQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-9(2)5-6-12(14)16-8-11(13)7-15-10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate?
(2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate has a molecular weight of 232.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-propan-2-yloxypropyl) 4-methylpentanoate is sourced from PubChem (CID 156555309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).