carbonic acid;2-hydroxypentan-3-one

C6H12O5 — CID 174710122

IUPACcarbonic acid;2-hydroxypentan-3-one
SMILESCCC(=O)C(C)O.O=C(O)O
InChIInChI=1S/C5H10O2.CH2O3/c1-3-5(7)4(2)6;2-1(3)4/h4,6H,3H2,1-2H3;(H2,2,3,4)
InChIKeyVQVVORGMTDDOCE-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.57
Rot. Bonds2

About carbonic acid;2-hydroxypentan-3-one

carbonic acid;2-hydroxypentan-3-one (PubChem CID 174710122) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is carbonic acid;2-hydroxypentan-3-one.

Molecular Properties

Compound Namecarbonic acid;2-hydroxypentan-3-one
PubChem CID174710122
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Namecarbonic acid;2-hydroxypentan-3-one
SMILESCCC(=O)C(C)O.O=C(O)O
InChIInChI=1S/C5H10O2.CH2O3/c1-3-5(7)4(2)6;2-1(3)4/h4,6H,3H2,1-2H3;(H2,2,3,4)
InChIKeyVQVVORGMTDDOCE-UHFFFAOYSA-N
XLogP0.57
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-hydroxy-3-oxopentanoic acid
CID 71338185
(E)-2-ethyl-3-(1-hydroxyethyl)but-2-enedioic acid
CID 87892946
4-hydroxyheptane-3,5-dione;uranium
CID 59435078
2,2,3-trimethyl-4-oxohexanoic acid
CID 88507803
4,5,6-trimethylheptan-3-one
CID 123222791
2-hydroxypropanoic acid;propanedioic acid;propanoic acid
CID 172861837
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363
aluminum;2-methylpentan-3-one;triiodide
CID 163663533
2-aminopentan-3-one
CID 10986165
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
2-hydroxypropanoic acid
CID 87075455

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxypentan-3-one?
The IUPAC name of carbonic acid;2-hydroxypentan-3-one (CID 174710122) is carbonic acid;2-hydroxypentan-3-one.
What is the SMILES notation for carbonic acid;2-hydroxypentan-3-one?
The canonical SMILES for carbonic acid;2-hydroxypentan-3-one is CCC(=O)C(C)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroxypentan-3-one?
The InChIKey is VQVVORGMTDDOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.CH2O3/c1-3-5(7)4(2)6;2-1(3)4/h4,6H,3H2,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroxypentan-3-one?
carbonic acid;2-hydroxypentan-3-one has a molecular weight of 164.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxypentan-3-one is sourced from PubChem (CID 174710122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).