methanol;(2S,3R)-2,3,4-trimethyloxane

C9H20O2 — CID 145399685

IUPACmethanol;(2S,3R)-2,3,4-trimethyloxane
SMILESCC1CCO[C@@H](C)[C@@H]1C.CO
InChIInChI=1S/C8H16O.CH4O/c1-6-4-5-9-8(3)7(6)2;1-2/h6-8H,4-5H2,1-3H3;2H,1H3/t6?,7-,8+;/m1./s1
InChIKeyHREWZNVVXNTBQF-JPPRQWMHSA-N
MW160.26 g/mol
LogP1.68
Rot. Bonds

About methanol;(2S,3R)-2,3,4-trimethyloxane

methanol;(2S,3R)-2,3,4-trimethyloxane (PubChem CID 145399685) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is methanol;(2S,3R)-2,3,4-trimethyloxane.

Molecular Properties

Compound Namemethanol;(2S,3R)-2,3,4-trimethyloxane
PubChem CID145399685
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Namemethanol;(2S,3R)-2,3,4-trimethyloxane
SMILESCC1CCO[C@@H](C)[C@@H]1C.CO
InChIInChI=1S/C8H16O.CH4O/c1-6-4-5-9-8(3)7(6)2;1-2/h6-8H,4-5H2,1-3H3;2H,1H3/t6?,7-,8+;/m1./s1
InChIKeyHREWZNVVXNTBQF-JPPRQWMHSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,3,4-trimethyloxepane
CID 144648748
(3R)-2-methyloxolan-3-ol
CID 89032581
(2,4-dimethyloxan-3-yl) acetate
CID 77431814
methyl (2R,3S,4R)-2,4-dimethyloxane-3-carboxylate
CID 14417467
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
3-tert-butyl-2-methyloxolane;methane
CID 158649776
(3R)-2-methyloxolane-3-carboxylic acid
CID 54532975
2,4-dimethyloxane;methane;methanol
CID 145467505
2-methyloxolan-3-ol;silicic acid
CID 70548601
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
(2R,3S)-3-chloro-2-methyloxolane
CID 13296748
(2S,3R)-2,3-dimethyloxane
CID 121479351

Frequently Asked Questions

What is the IUPAC name of methanol;(2S,3R)-2,3,4-trimethyloxane?
The IUPAC name of methanol;(2S,3R)-2,3,4-trimethyloxane (CID 145399685) is methanol;(2S,3R)-2,3,4-trimethyloxane.
What is the SMILES notation for methanol;(2S,3R)-2,3,4-trimethyloxane?
The canonical SMILES for methanol;(2S,3R)-2,3,4-trimethyloxane is CC1CCO[C@@H](C)[C@@H]1C.CO.
What is the InChIKey of methanol;(2S,3R)-2,3,4-trimethyloxane?
The InChIKey is HREWZNVVXNTBQF-JPPRQWMHSA-N. The full InChI is InChI=1S/C8H16O.CH4O/c1-6-4-5-9-8(3)7(6)2;1-2/h6-8H,4-5H2,1-3H3;2H,1H3/t6?,7-,8+;/m1./s1.
What are the key properties of methanol;(2S,3R)-2,3,4-trimethyloxane?
methanol;(2S,3R)-2,3,4-trimethyloxane has a molecular weight of 160.26 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(2S,3R)-2,3,4-trimethyloxane is sourced from PubChem (CID 145399685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).