(3S,4R)-3,4-dimethyloxolane;ethane;methanol

C9H22O2 — CID 166485181

IUPAC(3S,4R)-3,4-dimethyloxolane;ethane;methanol
SMILESCC.CO.C[C@@H]1COC[C@@H]1C
InChIInChI=1S/C6H12O.C2H6.CH4O/c1-5-3-7-4-6(5)2;2*1-2/h5-6H,3-4H2,1-2H3;1-2H3;2H,1H3/t5-,6+;;
InChIKeyOYIUBNOXQREEPT-RUTFAPCESA-N
MW162.27 g/mol
LogP1.92
Rot. Bonds

About (3S,4R)-3,4-dimethyloxolane;ethane;methanol

(3S,4R)-3,4-dimethyloxolane;ethane;methanol (PubChem CID 166485181) has the molecular formula C9H22O2 and a molecular weight of 162.27 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyloxolane;ethane;methanol.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyloxolane;ethane;methanol
PubChem CID166485181
Molecular FormulaC9H22O2
Molecular Weight162.27 g/mol
Exact Mass162.16
IUPAC Name(3S,4R)-3,4-dimethyloxolane;ethane;methanol
SMILESCC.CO.C[C@@H]1COC[C@@H]1C
InChIInChI=1S/C6H12O.C2H6.CH4O/c1-5-3-7-4-6(5)2;2*1-2/h5-6H,3-4H2,1-2H3;1-2H3;2H,1H3/t5-,6+;;
InChIKeyOYIUBNOXQREEPT-RUTFAPCESA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3,4-dimethyloxolane;ethene
CID 145261700
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
3-methyloxetane;oxetan-3-ol
CID 159981362
(4-methyloxolan-3-yl)methanol
CID 53402099
4-methyloxolane-3-carboxylic acid
CID 83669962
[(3R,4S)-4-methyloxolan-3-yl]methanol
CID 95165244
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227
4-ethyl-3,5-dimethyloxane
CID 91432465
1-(7,8-dimethyl-5-oxaspiro[2.6]nonan-2-yl)ethenamine;ethane
CID 170771566
5-methyl-3,7-dioxabicyclo[4.1.0]heptane
CID 177019686

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyloxolane;ethane;methanol?
The IUPAC name of (3S,4R)-3,4-dimethyloxolane;ethane;methanol (CID 166485181) is (3S,4R)-3,4-dimethyloxolane;ethane;methanol.
What is the SMILES notation for (3S,4R)-3,4-dimethyloxolane;ethane;methanol?
The canonical SMILES for (3S,4R)-3,4-dimethyloxolane;ethane;methanol is CC.CO.C[C@@H]1COC[C@@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyloxolane;ethane;methanol?
The InChIKey is OYIUBNOXQREEPT-RUTFAPCESA-N. The full InChI is InChI=1S/C6H12O.C2H6.CH4O/c1-5-3-7-4-6(5)2;2*1-2/h5-6H,3-4H2,1-2H3;1-2H3;2H,1H3/t5-,6+;;.
What are the key properties of (3S,4R)-3,4-dimethyloxolane;ethane;methanol?
(3S,4R)-3,4-dimethyloxolane;ethane;methanol has a molecular weight of 162.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyloxolane;ethane;methanol is sourced from PubChem (CID 166485181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).