4-hydroxypentan-2-yl acetate;methane

C10H26O3 — CID 161366769

IUPAC4-hydroxypentan-2-yl acetate;methane
SMILESC.C.C.CC(=O)OC(C)CC(C)O
InChIInChI=1S/C7H14O3.3CH4/c1-5(8)4-6(2)10-7(3)9;;;/h5-6,8H,4H2,1-3H3;3*1H4
InChIKeyVPXNOZHZBLPHHH-UHFFFAOYSA-N
MW194.31 g/mol
LogP2.62
Rot. Bonds3

About 4-hydroxypentan-2-yl acetate;methane

4-hydroxypentan-2-yl acetate;methane (PubChem CID 161366769) has the molecular formula C10H26O3 and a molecular weight of 194.31 g/mol. Its IUPAC name is 4-hydroxypentan-2-yl acetate;methane.

Molecular Properties

Compound Name4-hydroxypentan-2-yl acetate;methane
PubChem CID161366769
Molecular FormulaC10H26O3
Molecular Weight194.31 g/mol
Exact Mass194.19
IUPAC Name4-hydroxypentan-2-yl acetate;methane
SMILESC.C.C.CC(=O)OC(C)CC(C)O
InChIInChI=1S/C7H14O3.3CH4/c1-5(8)4-6(2)10-7(3)9;;;/h5-6,8H,4H2,1-3H3;3*1H4
InChIKeyVPXNOZHZBLPHHH-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
4,6-dihydroxyheptan-2-yl acetate
CID 118653103
[(2S,4S)-4-hydroxypentan-2-yl] methyl carbonate
CID 131855497
sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
4-acetyloxy-2-methylpentanoic acid
CID 172684875
4-hydroxypentan-2-yl 2-methylbut-2-enoate
CID 91259423
1-(2-acetyloxypropyldiazenyl)propan-2-yl acetate
CID 22363633
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928
4-hydroxyoctan-2-yl acetate
CID 21337080
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
2-acetyloxypropyl(203Hg)mercury-203
CID 23724955
[(2S)-1-bromopropan-2-yl] acetate
CID 13129281

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypentan-2-yl acetate;methane?
The IUPAC name of 4-hydroxypentan-2-yl acetate;methane (CID 161366769) is 4-hydroxypentan-2-yl acetate;methane.
What is the SMILES notation for 4-hydroxypentan-2-yl acetate;methane?
The canonical SMILES for 4-hydroxypentan-2-yl acetate;methane is C.C.C.CC(=O)OC(C)CC(C)O.
What is the InChIKey of 4-hydroxypentan-2-yl acetate;methane?
The InChIKey is VPXNOZHZBLPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.3CH4/c1-5(8)4-6(2)10-7(3)9;;;/h5-6,8H,4H2,1-3H3;3*1H4.
What are the key properties of 4-hydroxypentan-2-yl acetate;methane?
4-hydroxypentan-2-yl acetate;methane has a molecular weight of 194.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypentan-2-yl acetate;methane is sourced from PubChem (CID 161366769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).