ethane;2,4,6-trimethyloxane-3,4-diol

C10H22O3 — CID 168899999

IUPACethane;2,4,6-trimethyloxane-3,4-diol
SMILESCC.CC1CC(C)(O)C(O)C(C)O1
InChIInChI=1S/C8H16O3.C2H6/c1-5-4-8(3,10)7(9)6(2)11-5;1-2/h5-7,9-10H,4H2,1-3H3;1-2H3
InChIKeyFXCROFNOSNMBAX-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.32
Rot. Bonds

About ethane;2,4,6-trimethyloxane-3,4-diol

ethane;2,4,6-trimethyloxane-3,4-diol (PubChem CID 168899999) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is ethane;2,4,6-trimethyloxane-3,4-diol.

Molecular Properties

Compound Nameethane;2,4,6-trimethyloxane-3,4-diol
PubChem CID168899999
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Nameethane;2,4,6-trimethyloxane-3,4-diol
SMILESCC.CC1CC(C)(O)C(O)C(C)O1
InChIInChI=1S/C8H16O3.C2H6/c1-5-4-8(3,10)7(9)6(2)11-5;1-2/h5-7,9-10H,4H2,1-3H3;1-2H3
InChIKeyFXCROFNOSNMBAX-UHFFFAOYSA-N
XLogP1.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
bis((3R,4R,6S)-2,6-dimethyloxane-3,4-diol);(3R,4S,6S)-6-[(3R,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3R,4S,6S)-6-[(3S,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3R,4S,6S)-6-[(3S,4S,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2,4-dimethyloxane-3,4-diol;(3S,4R,6S)-6-[(3R,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol;(3S,4R,6S)-6-[(3S,4R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol;(3R,4S,6S)-2,4,6-trimethyloxane-3,4-diol
CID 157381850
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
2,4-dimethyloxetane-2,3-diol
CID 142770026
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
(3R,5S)-3,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-4-ol
CID 163515521
4-ethyl-4,6-dimethyloxane-2,5-diol
CID 90762983
(2S,3S,4R,6S)-4-methoxy-2,3,4,6-tetramethyloxane
CID 89274647
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
CID 89394802
2,5-dimethyl-3-(trifluoromethyl)oxolan-3-ol
CID 130977742
(2R,3S,4S,6S)-4-amino-6-methoxy-2,4-dimethyloxan-3-ol
CID 23254147

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6-trimethyloxane-3,4-diol?
The IUPAC name of ethane;2,4,6-trimethyloxane-3,4-diol (CID 168899999) is ethane;2,4,6-trimethyloxane-3,4-diol.
What is the SMILES notation for ethane;2,4,6-trimethyloxane-3,4-diol?
The canonical SMILES for ethane;2,4,6-trimethyloxane-3,4-diol is CC.CC1CC(C)(O)C(O)C(C)O1.
What is the InChIKey of ethane;2,4,6-trimethyloxane-3,4-diol?
The InChIKey is FXCROFNOSNMBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C2H6/c1-5-4-8(3,10)7(9)6(2)11-5;1-2/h5-7,9-10H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2,4,6-trimethyloxane-3,4-diol?
ethane;2,4,6-trimethyloxane-3,4-diol has a molecular weight of 190.28 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trimethyloxane-3,4-diol is sourced from PubChem (CID 168899999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).