[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol

C12H22O2 — CID 165442527

IUPAC[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
SMILESCC1(C)CCC(CO)(CC2CO2)CC1
InChIInChI=1S/C12H22O2/c1-11(2)3-5-12(9-13,6-4-11)7-10-8-14-10/h10,13H,3-9H2,1-2H3
InChIKeyBPKPEBWJKFXZRL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds3

About [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol

[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol (PubChem CID 165442527) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
PubChem CID165442527
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
SMILESCC1(C)CCC(CO)(CC2CO2)CC1
InChIInChI=1S/C12H22O2/c1-11(2)3-5-12(9-13,6-4-11)7-10-8-14-10/h10,13H,3-9H2,1-2H3
InChIKeyBPKPEBWJKFXZRL-UHFFFAOYSA-N
XLogP2.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(hydroxymethyl)-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 165443899
[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
(1R,2S,4S)-1,3,3-trimethyl-2-[[(2R)-oxiran-2-yl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 100962458
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
(1S,2R,4R)-1,7,7-trimethyl-2-(oxiran-2-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 175436353
[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
CID 130135695
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
[1-(2-methyl-1,3-dioxol-2-yl)cyclopropyl]methanol
CID 141007678
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
[1-[(1-methylpiperidin-3-yl)methyl]cyclopropyl]methanol
CID 116928942

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol (CID 165442527) is [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol is CC1(C)CCC(CO)(CC2CO2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol?
The InChIKey is BPKPEBWJKFXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)3-5-12(9-13,6-4-11)7-10-8-14-10/h10,13H,3-9H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol?
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol has a molecular weight of 198.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 165442527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).