2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane

C21H36O2 — CID 22281012

IUPAC2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
SMILESCC(C)(C1CCC(CC2CO2)CC1)C1CCC(CC2CO2)CC1
InChIInChI=1S/C21H36O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h15-20H,3-14H2,1-2H3
InChIKeyTYJBGRITOIMGRY-UHFFFAOYSA-N
MW320.52 g/mol
LogP5.20
Rot. Bonds6

About 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane

2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane (PubChem CID 22281012) has the molecular formula C21H36O2 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
PubChem CID22281012
Molecular FormulaC21H36O2
Molecular Weight320.52 g/mol
Exact Mass320.27
IUPAC Name2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane
SMILESCC(C)(C1CCC(CC2CO2)CC1)C1CCC(CC2CO2)CC1
InChIInChI=1S/C21H36O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h15-20H,3-14H2,1-2H3
InChIKeyTYJBGRITOIMGRY-UHFFFAOYSA-N
XLogP5.20
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane with MolForge

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Related Compounds

2-[(4-butylcyclohexyl)methyl]oxirane
CID 174838553
2-[2-[4-[2-[4-[2-(oxiran-2-ylmethoxy)ethyl]cyclohexyl]propan-2-yl]cyclohexyl]ethoxymethyl]oxirane
CID 170082901
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
2-[[4-(ethenoxymethyl)cyclohexyl]methyl]oxirane
CID 123807812
(4R)-4-(cyclopropylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 123766397
1,3-bis[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxy]propan-2-ol;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 161181502
2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 140564892
1,4-diethylcyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)propan-2-yl]cyclohexane
CID 163450163
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
CID 167295439

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane (CID 22281012) is 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane is CC(C)(C1CCC(CC2CO2)CC1)C1CCC(CC2CO2)CC1.
What is the InChIKey of 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane?
The InChIKey is TYJBGRITOIMGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O2/c1-21(2,17-7-3-15(4-8-17)11-19-13-22-19)18-9-5-16(6-10-18)12-20-14-23-20/h15-20H,3-14H2,1-2H3.
What are the key properties of 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane?
2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane has a molecular weight of 320.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(oxiran-2-ylmethyl)cyclohexyl]propan-2-yl]cyclohexyl]methyl]oxirane is sourced from PubChem (CID 22281012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).