[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol

C9H18O2 — CID 58400213

IUPAC[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
SMILESCC1COC(CO)[C@H](C)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-6-5-11-9(4-10)8(3)7(6)2/h6-10H,4-5H2,1-3H3/t6?,7-,8-,9?/m1/s1
InChIKeyGSQWEOAPSNJBAJ-OMRMXDSLSA-N
MW158.24 g/mol
LogP1.29
Rot. Bonds1

About [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol

[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol (PubChem CID 58400213) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
PubChem CID58400213
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol
SMILESCC1COC(CO)[C@H](C)[C@@H]1C
InChIInChI=1S/C9H18O2/c1-6-5-11-9(4-10)8(3)7(6)2/h6-10H,4-5H2,1-3H3/t6?,7-,8-,9?/m1/s1
InChIKeyGSQWEOAPSNJBAJ-OMRMXDSLSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 142842456
(2R,3S,4S,5R)-2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 58017669
2-(hydroxymethyl)-4-methoxy-5-methyloxan-3-ol
CID 19699685
[2-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562413
3,4,5-trimethyloxan-2-ol
CID 23586464
[5-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562379
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
CID 157382576
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol?
The IUPAC name of [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol (CID 58400213) is [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol.
What is the SMILES notation for [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol?
The canonical SMILES for [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol is CC1COC(CO)[C@H](C)[C@@H]1C.
What is the InChIKey of [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol?
The InChIKey is GSQWEOAPSNJBAJ-OMRMXDSLSA-N. The full InChI is InChI=1S/C9H18O2/c1-6-5-11-9(4-10)8(3)7(6)2/h6-10H,4-5H2,1-3H3/t6?,7-,8-,9?/m1/s1.
What are the key properties of [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol?
[(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4,5-trimethyloxan-2-yl]methanol is sourced from PubChem (CID 58400213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).