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

C9H20O4 — CID 143276488

IUPACethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
SMILESCC.CC1OC(CO)CC(O)C1O
InChIInChI=1S/C7H14O4.C2H6/c1-4-7(10)6(9)2-5(3-8)11-4;1-2/h4-10H,2-3H2,1H3;1-2H3
InChIKeyXNTGFVQDZJGXLF-UHFFFAOYSA-N
MW192.25 g/mol
LogP-0.10
Rot. Bonds1

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

ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol (PubChem CID 143276488) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol.

Molecular Properties

Compound Nameethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
PubChem CID143276488
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nameethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
SMILESCC.CC1OC(CO)CC(O)C1O
InChIInChI=1S/C7H14O4.C2H6/c1-4-7(10)6(9)2-5(3-8)11-4;1-2/h4-10H,2-3H2,1H3;1-2H3
InChIKeyXNTGFVQDZJGXLF-UHFFFAOYSA-N
XLogP-0.10
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
2-[(5R)-4,5-dihydroxy-6-methyloxan-2-yl]acetaldehyde
CID 142172480
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
CID 123678113
ethane;6-(hydroxymethyl)-3-methoxy-2-methyloxan-4-ol;methanethioic S-acid
CID 144720636
(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 155298605
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
[(2S,5S)-4-bromo-5-methyloxolan-2-yl]methanol
CID 140536422
(2S,3R,4S)-2,5-dimethyloxolane-3,4-diol;(2S,3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol;(2S,3R)-2-(hydroxymethyl)-5-methyloxolan-3-ol;(3S,5R)-5-(hydroxymethyl)-2-methyloxolan-3-ol;(3S,4S)-2-methyloxolane-3,4-diol
CID 160668374
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
2-ethynyl-6-(hydroxymethyl)oxane-3,4-diol
CID 144652826

Frequently Asked Questions

What is the IUPAC name of ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The IUPAC name of ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol (CID 143276488) is ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol.
What is the SMILES notation for ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The canonical SMILES for ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol is CC.CC1OC(CO)CC(O)C1O.
What is the InChIKey of ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol?
The InChIKey is XNTGFVQDZJGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C2H6/c1-4-7(10)6(9)2-5(3-8)11-4;1-2/h4-10H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol?
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol has a molecular weight of 192.25 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol is sourced from PubChem (CID 143276488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).