2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol

C11H22O2 — CID 121221918

IUPAC2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
SMILESCC1CCC(C)(O)C(CO)C1(C)C
InChIInChI=1S/C11H22O2/c1-8-5-6-11(4,13)9(7-12)10(8,2)3/h8-9,12-13H,5-7H2,1-4H3
InChIKeyPGEGCIBCVYERJR-UHFFFAOYSA-N
MW186.29 g/mol
LogP1.80
Rot. Bonds1

About 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol

2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol (PubChem CID 121221918) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
PubChem CID121221918
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol
SMILESCC1CCC(C)(O)C(CO)C1(C)C
InChIInChI=1S/C11H22O2/c1-8-5-6-11(4,13)9(7-12)10(8,2)3/h8-9,12-13H,5-7H2,1-4H3
InChIKeyPGEGCIBCVYERJR-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

1,5-bis(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 78072368
1,3,3,4-tetramethylcyclohexan-1-ol
CID 14446238
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
[(1S,3R)-1,3-dimethyl-2-bicyclo[1.1.0]butanyl]methanol
CID 130694554
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
(1S,2S,4R)-2-(hydroxymethyl)-1,4-dimethylcyclopentan-1-ol
CID 58944578
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,2,3-trimethylcyclopentan-1-ol
CID 23077337
(1S,2R,3R)-3-(2-hydroxyethyl)-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 53483796
(2R)-1-(2-hydroxyethyl)-2,5,5,7,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 155460534
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
CID 130578288

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol?
The IUPAC name of 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol (CID 121221918) is 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol is CC1CCC(C)(O)C(CO)C1(C)C.
What is the InChIKey of 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol?
The InChIKey is PGEGCIBCVYERJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-8-5-6-11(4,13)9(7-12)10(8,2)3/h8-9,12-13H,5-7H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-1,3,3,4-tetramethylcyclohexan-1-ol?
2-(hydroxymethyl)-1,3,3,4-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)-1,3,3,4-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 121221918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).