6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol

C9H18O3 — CID 86080734

IUPAC6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
SMILESCC1(C)CC(O)OC(C)(CO)C1
InChIInChI=1S/C9H18O3/c1-8(2)4-7(11)12-9(3,5-8)6-10/h7,10-11H,4-6H2,1-3H3
InChIKeyQLYQIERXUCGKCU-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.89
Rot. Bonds1

About 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol

6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol (PubChem CID 86080734) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
PubChem CID86080734
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
SMILESCC1(C)CC(O)OC(C)(CO)C1
InChIInChI=1S/C9H18O3/c1-8(2)4-7(11)12-9(3,5-8)6-10/h7,10-11H,4-6H2,1-3H3
InChIKeyQLYQIERXUCGKCU-UHFFFAOYSA-N
XLogP0.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
CID 131106641
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
(2R,5S)-3-amino-2,5,6-tris(hydroxymethyl)-2,5-dimethyloxan-4-ol
CID 70927884
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
(2,4,6,6-tetramethyloxan-2-yl)methanol
CID 144570256
[1-(ethylamino)-2,4,4-trimethylcyclopentyl]methanol
CID 106664015
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
3,5-bis(hydroxymethyl)-3,5-dimethyloxan-4-ol
CID 154094053
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol?
The IUPAC name of 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol (CID 86080734) is 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol.
What is the SMILES notation for 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol?
The canonical SMILES for 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol is CC1(C)CC(O)OC(C)(CO)C1.
What is the InChIKey of 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol?
The InChIKey is QLYQIERXUCGKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2)4-7(11)12-9(3,5-8)6-10/h7,10-11H,4-6H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol?
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol is sourced from PubChem (CID 86080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).