(1R,2R,3S)-3-methoxycyclobutane-1,2-diol

C5H10O3 — CID 22814752

IUPAC(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
SMILESCO[C@H]1C[C@@H](O)[C@H]1O
InChIInChI=1S/C5H10O3/c1-8-4-2-3(6)5(4)7/h3-7H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyRGLRENHKOZIHDN-MROZADKFSA-N
MW118.13 g/mol
LogP-0.87
Rot. Bonds1

About (1R,2R,3S)-3-methoxycyclobutane-1,2-diol

(1R,2R,3S)-3-methoxycyclobutane-1,2-diol (PubChem CID 22814752) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (1R,2R,3S)-3-methoxycyclobutane-1,2-diol.

Molecular Properties

Compound Name(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
PubChem CID22814752
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
SMILESCO[C@H]1C[C@@H](O)[C@H]1O
InChIInChI=1S/C5H10O3/c1-8-4-2-3(6)5(4)7/h3-7H,2H2,1H3/t3-,4+,5-/m1/s1
InChIKeyRGLRENHKOZIHDN-MROZADKFSA-N
XLogP-0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(1R,2R,4S,5S)-4-methoxycyclohexane-1,2,3,5-tetrol
CID 88986238
4-methoxycyclohexane-1,2,3-triol
CID 54277163
(1R,2R,4S)-3-hydroxysulfanyl-5-methoxy-2-nitrosocyclohexane-1,4-diol
CID 163977896
(1S,2S,4R,5R)-4-methoxy-5-methylcyclohexane-1,2,3-triol
CID 88986232
(2R,3S,4R,6R)-2,4-dimethoxy-6-methyloxan-3-ol
CID 130927435
4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
CID 159534501
(1S,3S,4R)-4-hydroxy-3-methoxycyclohexane-1-carboxylic acid
CID 139598760
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2,3,4-trihydroxycyclopentyl) acetate
CID 14105902
(2S,4S,5S)-5-methoxyoxane-2,4-diol
CID 10057644

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-methoxycyclobutane-1,2-diol?
The IUPAC name of (1R,2R,3S)-3-methoxycyclobutane-1,2-diol (CID 22814752) is (1R,2R,3S)-3-methoxycyclobutane-1,2-diol.
What is the SMILES notation for (1R,2R,3S)-3-methoxycyclobutane-1,2-diol?
The canonical SMILES for (1R,2R,3S)-3-methoxycyclobutane-1,2-diol is CO[C@H]1C[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,3S)-3-methoxycyclobutane-1,2-diol?
The InChIKey is RGLRENHKOZIHDN-MROZADKFSA-N. The full InChI is InChI=1S/C5H10O3/c1-8-4-2-3(6)5(4)7/h3-7H,2H2,1H3/t3-,4+,5-/m1/s1.
What are the key properties of (1R,2R,3S)-3-methoxycyclobutane-1,2-diol?
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol has a molecular weight of 118.13 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-methoxycyclobutane-1,2-diol is sourced from PubChem (CID 22814752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).