6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol

C13H22O6 — CID 166938972

IUPAC6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESOC1OC(COCC23CCC(C2)C3)C(O)C(O)C1O
InChIInChI=1S/C13H22O6/c14-9-8(19-12(17)11(16)10(9)15)5-18-6-13-2-1-7(3-13)4-13/h7-12,14-17H,1-6H2
InChIKeyOIPKXZHZVJMUGV-UHFFFAOYSA-N
MW274.31 g/mol
LogP-1.01
Rot. Bonds4

About 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol

6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 166938972) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID166938972
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol
SMILESOC1OC(COCC23CCC(C2)C3)C(O)C(O)C1O
InChIInChI=1S/C13H22O6/c14-9-8(19-12(17)11(16)10(9)15)5-18-6-13-2-1-7(3-13)4-13/h7-12,14-17H,1-6H2
InChIKeyOIPKXZHZVJMUGV-UHFFFAOYSA-N
XLogP-1.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl-[[3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxymethyl]-1-bicyclo[1.1.1]pentanyl]oxy]phosphinic acid
CID 167150943
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
(3R,4S,5R,6R)-6-(prop-2-ynoxymethyl)oxane-2,3,4,5-tetrol
CID 87171059
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 138394257
(2R,3R,4S,5S,6R)-6-[[(4S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 52940241
(2S,3R,4S,5R,6R)-6-(4-dodecoxybutoxymethyl)oxane-2,3,4,5-tetrol
CID 71653726
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
1-[[(2R,3R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]propan-2-one
CID 59046447
(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(ethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 22860173
4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butane-1-sulfonic acid
CID 155641941

Frequently Asked Questions

What is the IUPAC name of 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol (CID 166938972) is 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol is OC1OC(COCC23CCC(C2)C3)C(O)C(O)C1O.
What is the InChIKey of 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is OIPKXZHZVJMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c14-9-8(19-12(17)11(16)10(9)15)5-18-6-13-2-1-7(3-13)4-13/h7-12,14-17H,1-6H2.
What are the key properties of 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol?
6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 274.31 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bicyclo[2.1.1]hexanylmethoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 166938972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).