carbonic acid;cyclobutane-1,2-diol

C5H10O5 — CID 122598363

IUPACcarbonic acid;cyclobutane-1,2-diol
SMILESO=C(O)O.OC1CCC1O
InChIInChI=1S/C4H8O2.CH2O3/c5-3-1-2-4(3)6;2-1(3)4/h3-6H,1-2H2;(H2,2,3,4)
InChIKeyHYUWESFHANMAKU-UHFFFAOYSA-N
MW150.13 g/mol
LogP-0.28
Rot. Bonds

About carbonic acid;cyclobutane-1,2-diol

carbonic acid;cyclobutane-1,2-diol (PubChem CID 122598363) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is carbonic acid;cyclobutane-1,2-diol.

Molecular Properties

Compound Namecarbonic acid;cyclobutane-1,2-diol
PubChem CID122598363
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Namecarbonic acid;cyclobutane-1,2-diol
SMILESO=C(O)O.OC1CCC1O
InChIInChI=1S/C4H8O2.CH2O3/c5-3-1-2-4(3)6;2-1(3)4/h3-6H,1-2H2;(H2,2,3,4)
InChIKeyHYUWESFHANMAKU-UHFFFAOYSA-N
XLogP-0.28
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
carbonic acid;cyclopropanamine
CID 70000861
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
benzene;carbonic acid
CID 67492984
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
(1R,2S,5S)-2-amino-5-hydroxycyclopentane-1-carboxylic acid
CID 11321017
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cis-(3S,4R)-3,4-dihydroxycyclohexane-1,1-dicarboxylic acid
CID 102177951
2,3-difluoro-4-hydroxycyclohexane-1-carboxylic acid
CID 174740400

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclobutane-1,2-diol?
The IUPAC name of carbonic acid;cyclobutane-1,2-diol (CID 122598363) is carbonic acid;cyclobutane-1,2-diol.
What is the SMILES notation for carbonic acid;cyclobutane-1,2-diol?
The canonical SMILES for carbonic acid;cyclobutane-1,2-diol is O=C(O)O.OC1CCC1O.
What is the InChIKey of carbonic acid;cyclobutane-1,2-diol?
The InChIKey is HYUWESFHANMAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH2O3/c5-3-1-2-4(3)6;2-1(3)4/h3-6H,1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;cyclobutane-1,2-diol?
carbonic acid;cyclobutane-1,2-diol has a molecular weight of 150.13 g/mol, XLogP of -0.28, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclobutane-1,2-diol is sourced from PubChem (CID 122598363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).