2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol

C11H22O2 — CID 130126601

IUPAC2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(O)C(CO)C(C)(C)C1
InChIInChI=1S/C11H22O2/c1-10(2)5-9(13)8(6-12)11(3,4)7-10/h8-9,12-13H,5-7H2,1-4H3
InChIKeyFKTHUHHTKHXWTO-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.80
Rot. Bonds1

About 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol

2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 130126601) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID130126601
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(O)C(CO)C(C)(C)C1
InChIInChI=1S/C11H22O2/c1-10(2)5-9(13)8(6-12)11(3,4)7-10/h8-9,12-13H,5-7H2,1-4H3
InChIKeyFKTHUHHTKHXWTO-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
CID 14320848
(1R,2R,3R)-2-bromo-1,5,5-trimethylcyclohexane-1,3-diol
CID 101131576
5-(hydroxymethyl)-6,6-dimethylpiperidine-3,4-diol
CID 123332942
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
CID 123875963
1,5,5-trimethylcyclohexane-1,3-diol
CID 12684659
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
CID 86080734
(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
(2,4,6-trimethyl-1-azabicyclo[2.2.0]hexan-3-yl)methanol
CID 175637338
(1S,4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-ol
CID 10955280
(1S,1'R,2S,4R,6S)-4,5',5',7,7-pentamethylspiro[bicyclo[2.2.2]octane-6,3'-cyclohexane]-1',2-diol
CID 11878674

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol (CID 130126601) is 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(O)C(CO)C(C)(C)C1.
What is the InChIKey of 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is FKTHUHHTKHXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(2)5-9(13)8(6-12)11(3,4)7-10/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 130126601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).