2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane

C12H22O2 — CID 114340893

IUPAC2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
SMILESCC1(C)CCC(OCC2(C)CO2)CC1
InChIInChI=1S/C12H22O2/c1-11(2)6-4-10(5-7-11)13-8-12(3)9-14-12/h10H,4-9H2,1-3H3
InChIKeyGHSRBBRMDGYXHH-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds3

About 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane

2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane (PubChem CID 114340893) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
PubChem CID114340893
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
SMILESCC1(C)CCC(OCC2(C)CO2)CC1
InChIInChI=1S/C12H22O2/c1-11(2)6-4-10(5-7-11)13-8-12(3)9-14-12/h10H,4-9H2,1-3H3
InChIKeyGHSRBBRMDGYXHH-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923
2-methyl-2-(sulfanyloxymethyl)oxirane
CID 141439359
2-[(2-ethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 66335824
4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
CID 114340907
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
2-(18-bromooctadecoxymethyl)-2-methyloxirane
CID 88708364
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341920
4-(4,4-dimethylcyclohexyl)oxy-2-methylbut-2-enoic acid
CID 104893919
4-(4,4-dimethylcyclohexyl)oxy-3-methylbut-2-enoic acid
CID 104893922
2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
CID 114342697
2-[(4,4-dimethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073876

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane?
The IUPAC name of 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane (CID 114340893) is 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane.
What is the SMILES notation for 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane?
The canonical SMILES for 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane is CC1(C)CCC(OCC2(C)CO2)CC1.
What is the InChIKey of 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane?
The InChIKey is GHSRBBRMDGYXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)6-4-10(5-7-11)13-8-12(3)9-14-12/h10H,4-9H2,1-3H3.
What are the key properties of 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane?
2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane is sourced from PubChem (CID 114340893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).