[(2R,4S)-2-methyloxan-4-yl]methanol

C7H14O2 — CID 97010852

IUPAC[(2R,4S)-2-methyloxan-4-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)CCO1
InChIInChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyGHJBUFCOONHXFD-RQJHMYQMSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About [(2R,4S)-2-methyloxan-4-yl]methanol

[(2R,4S)-2-methyloxan-4-yl]methanol (PubChem CID 97010852) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2R,4S)-2-methyloxan-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-2-methyloxan-4-yl]methanol
PubChem CID97010852
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(2R,4S)-2-methyloxan-4-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)CCO1
InChIInChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyGHJBUFCOONHXFD-RQJHMYQMSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyloxan-4-ol
CID 53407792
1-(Oxan-4-yl)ethan-1-ol
CID 12411803
(2-Methyloxan-4-yl)methanol
CID 22235159
(2,2-Dimethyloxan-4-yl)methanol
CID 51072184
Tetrahydro-2H-pyran-3-ethanol
CID 55264768
(1S)-1-(oxan-4-yl)ethan-1-ol
CID 65334692
[(2R,4r,6S)-2,6-dimethyloxan-4-yl]methanol
CID 67078164
(1R)-1-(oxan-4-yl)ethan-1-ol
CID 75356584
3-(Propan-2-yl)oxan-4-ol
CID 106471202
(2-(Propan-2-yl)oxan-4-yl)methanol
CID 65919175
1-(2-Methyloxan-4-yl)ethan-1-ol
CID 66439369
1-((2R,6S)-2,6-dimethyloxan-4-yl)ethan-1-ol
CID 165999026

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methyloxan-4-yl]methanol?
The IUPAC name of [(2R,4S)-2-methyloxan-4-yl]methanol (CID 97010852) is [(2R,4S)-2-methyloxan-4-yl]methanol.
What is the SMILES notation for [(2R,4S)-2-methyloxan-4-yl]methanol?
The canonical SMILES for [(2R,4S)-2-methyloxan-4-yl]methanol is C[C@@H]1C[C@@H](CO)CCO1.
What is the InChIKey of [(2R,4S)-2-methyloxan-4-yl]methanol?
The InChIKey is GHJBUFCOONHXFD-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2R,4S)-2-methyloxan-4-yl]methanol?
[(2R,4S)-2-methyloxan-4-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methyloxan-4-yl]methanol is sourced from PubChem (CID 97010852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).