ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

C10H22O4 — CID 144927729

IUPACethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC.CC1OC(CO)C(O)C(O)C1C
InChIInChI=1S/C8H16O4.C2H6/c1-4-5(2)12-6(3-9)8(11)7(4)10;1-2/h4-11H,3H2,1-2H3;1-2H3
InChIKeyYBUCJFQWUQAIIX-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.15
Rot. Bonds1

About ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol

ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (PubChem CID 144927729) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.

Molecular Properties

Compound Nameethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
PubChem CID144927729
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Nameethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
SMILESCC.CC1OC(CO)C(O)C(O)C1C
InChIInChI=1S/C8H16O4.C2H6/c1-4-5(2)12-6(3-9)8(11)7(4)10;1-2/h4-11H,3H2,1-2H3;1-2H3
InChIKeyYBUCJFQWUQAIIX-UHFFFAOYSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
2-(hydroxymethyl)-3,5,6-trimethyloxan-4-ol
CID 22983061
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787

Frequently Asked Questions

What is the IUPAC name of ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The IUPAC name of ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol (CID 144927729) is ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol.
What is the SMILES notation for ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The canonical SMILES for ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is CC.CC1OC(CO)C(O)C(O)C1C.
What is the InChIKey of ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
The InChIKey is YBUCJFQWUQAIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4.C2H6/c1-4-5(2)12-6(3-9)8(11)7(4)10;1-2/h4-11H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol?
ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol has a molecular weight of 206.28 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol is sourced from PubChem (CID 144927729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).