[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate

C7H14O4 — CID 131855497

IUPAC[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
SMILESCOC(=O)O[C@@H](C)C[C@H](C)O
InChIInChI=1S/C7H14O4/c1-5(8)4-6(2)11-7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyNYXKLHMQOZOLJH-WDSKDSINSA-N
MW162.18 g/mol
LogP0.93
Rot. Bonds3

About [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate

[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate (PubChem CID 131855497) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
PubChem CID131855497
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
SMILESCOC(=O)O[C@@H](C)C[C@H](C)O
InChIInChI=1S/C7H14O4/c1-5(8)4-6(2)11-7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1
InChIKeyNYXKLHMQOZOLJH-WDSKDSINSA-N
XLogP0.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
4-hydroxypentan-2-yl acetate;methane
CID 161366769
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
dimethyl carbonate;methanol;1-methoxycarbonyloxypropan-2-yl methyl carbonate;propane-1,2-diol
CID 161167335
4-hydroxypentan-2-yl 2-methylbut-2-enoate
CID 91259423
4-methoxycarbonyloxybutan-2-yl methyl carbonate
CID 102005432
4,6-dihydroxyheptan-2-yl acetate
CID 118653103
N-[(2R)-2-hydroxy-2-(4-hydroxypentan-2-yloxy)ethyl]acetamide
CID 174002662
4-(2-methoxyethoxy)pentan-2-ol
CID 64721506
oxotitanium;bis(pentane-2,4-diol)
CID 166004724

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate?
The IUPAC name of [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate (CID 131855497) is [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate.
What is the SMILES notation for [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate?
The canonical SMILES for [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate is COC(=O)O[C@@H](C)C[C@H](C)O.
What is the InChIKey of [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate?
The InChIKey is NYXKLHMQOZOLJH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14O4/c1-5(8)4-6(2)11-7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate?
[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate has a molecular weight of 162.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate is sourced from PubChem (CID 131855497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).