carbonic acid;2-hydroxyhexanoic acid

C7H14O6 — CID 160541051

IUPACcarbonic acid;2-hydroxyhexanoic acid
SMILESCCCCC(O)C(=O)O.O=C(O)O
InChIInChI=1S/C6H12O3.CH2O3/c1-2-3-4-5(7)6(8)9;2-1(3)4/h5,7H,2-4H2,1H3,(H,8,9);(H2,2,3,4)
InChIKeyQWUFGBKLSCNUHC-UHFFFAOYSA-N
MW194.18 g/mol
LogP0.84
Rot. Bonds4

About carbonic acid;2-hydroxyhexanoic acid

carbonic acid;2-hydroxyhexanoic acid (PubChem CID 160541051) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is carbonic acid;2-hydroxyhexanoic acid.

Molecular Properties

Compound Namecarbonic acid;2-hydroxyhexanoic acid
PubChem CID160541051
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Namecarbonic acid;2-hydroxyhexanoic acid
SMILESCCCCC(O)C(=O)O.O=C(O)O
InChIInChI=1S/C6H12O3.CH2O3/c1-2-3-4-5(7)6(8)9;2-1(3)4/h5,7H,2-4H2,1H3,(H,8,9);(H2,2,3,4)
InChIKeyQWUFGBKLSCNUHC-UHFFFAOYSA-N
XLogP0.84
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxyhexanoic acid
CID 6995511
ethane;2-hydroxyhexanoic acid
CID 20976061
2-hydroxyheptanoic acid
CID 2750949
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxydecanoic acid
CID 161255514
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
2-hydroxyhexanoic acid;methyl formate
CID 158382465
2,2-dihydroxyhexanoic acid;2-hydroxyhexanoic acid
CID 161085077
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-hydroxyhexanoic acid?
The IUPAC name of carbonic acid;2-hydroxyhexanoic acid (CID 160541051) is carbonic acid;2-hydroxyhexanoic acid.
What is the SMILES notation for carbonic acid;2-hydroxyhexanoic acid?
The canonical SMILES for carbonic acid;2-hydroxyhexanoic acid is CCCCC(O)C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-hydroxyhexanoic acid?
The InChIKey is QWUFGBKLSCNUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.CH2O3/c1-2-3-4-5(7)6(8)9;2-1(3)4/h5,7H,2-4H2,1H3,(H,8,9);(H2,2,3,4).
What are the key properties of carbonic acid;2-hydroxyhexanoic acid?
carbonic acid;2-hydroxyhexanoic acid has a molecular weight of 194.18 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-hydroxyhexanoic acid is sourced from PubChem (CID 160541051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).