[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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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).