4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane

C9H20O5 — CID 159534501

IUPAC4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
SMILESC.COC1CC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O5.CH4/c1-13-5-2-4(3-9)6(10)8(12)7(5)11;/h4-12H,2-3H2,1H3;1H4
InChIKeyMDKNPVVNRHWNJT-UHFFFAOYSA-N
MW208.25 g/mol
LogP-1.27
Rot. Bonds2

About 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane

4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane (PubChem CID 159534501) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
PubChem CID159534501
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane
SMILESC.COC1CC(CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O5.CH4/c1-13-5-2-4(3-9)6(10)8(12)7(5)11;/h4-12H,2-3H2,1H3;1H4
InChIKeyMDKNPVVNRHWNJT-UHFFFAOYSA-N
XLogP-1.27
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3R,4R,6R)-4-(hydroxymethyl)-6-octoxycyclohexane-1,2,3-triol
CID 10469479
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
4-(hydroxymethyl)-6-[(2,3,4-trihydroxy-5-propan-2-ylcyclohexyl)methoxy]cyclohexane-1,2,3-triol
CID 161359179
(2R,3S,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 89082502
(1R,2S,3R,4R,6S)-4-(hydroxymethyl)-6-methylcyclohexane-1,2,3-triol
CID 159801457
(1S,2S,3S,4R,6R)-4-[[(1R,3R,4S,5R,8R)-4-hydroxy-3-methoxy-6-oxabicyclo[3.2.1]octan-8-yl]amino]-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10472000
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
2-methyl-4-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxybut-2-enenitrile
CID 162834255

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane?
The IUPAC name of 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane (CID 159534501) is 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane.
What is the SMILES notation for 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane?
The canonical SMILES for 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane is C.COC1CC(CO)C(O)C(O)C1O.
What is the InChIKey of 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane?
The InChIKey is MDKNPVVNRHWNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5.CH4/c1-13-5-2-4(3-9)6(10)8(12)7(5)11;/h4-12H,2-3H2,1H3;1H4.
What are the key properties of 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane?
4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane has a molecular weight of 208.25 g/mol, XLogP of -1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-methoxycyclohexane-1,2,3-triol;methane is sourced from PubChem (CID 159534501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).