[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol

C9H18O3 — CID 130148196

IUPAC[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
SMILESCC1CC(C)C(CO)OC1CO
InChIInChI=1S/C9H18O3/c1-6-3-7(2)9(5-11)12-8(6)4-10/h6-11H,3-5H2,1-2H3
InChIKeyMRJWXRHYKYBJMP-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds2

About [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol

[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol (PubChem CID 130148196) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
PubChem CID130148196
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
SMILESCC1CC(C)C(CO)OC1CO
InChIInChI=1S/C9H18O3/c1-6-3-7(2)9(5-11)12-8(6)4-10/h6-11H,3-5H2,1-2H3
InChIKeyMRJWXRHYKYBJMP-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
CID 159262400
N-[(5S)-6-(hydroxymethyl)-2,5-dimethyloxan-3-yl]acetamide
CID 144967477
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(5-ethyl-4-methyloxolan-2-yl)methanol
CID 90933878
ethane;(2S,5S)-6-(hydroxymethyl)-4-methyloxane-2,5-diol
CID 156740552
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
[(3R,4S,5S,6S)-4,6-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]methanol
CID 131041848
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 11160276
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
CID 161264357
CID 161264357

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol (CID 130148196) is [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol is CC1CC(C)C(CO)OC1CO.
What is the InChIKey of [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
The InChIKey is MRJWXRHYKYBJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-6-3-7(2)9(5-11)12-8(6)4-10/h6-11H,3-5H2,1-2H3.
What are the key properties of [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol?
[6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol is sourced from PubChem (CID 130148196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).