2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane

C19H32O3S — CID 175164070

IUPAC2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
SMILESC1CCC(OCC2CO2)C(CC2CCC(OCC3CS3)CC2)C1
InChIInChI=1S/C19H32O3S/c1-2-4-19(22-11-17-10-20-17)15(3-1)9-14-5-7-16(8-6-14)21-12-18-13-23-18/h14-19H,1-13H2
InChIKeyOMFMCCJGUFUKPJ-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.04
Rot. Bonds8

About 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane

2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane (PubChem CID 175164070) has the molecular formula C19H32O3S and a molecular weight of 340.53 g/mol. Its IUPAC name is 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
PubChem CID175164070
Molecular FormulaC19H32O3S
Molecular Weight340.53 g/mol
Exact Mass340.21
IUPAC Name2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
SMILESC1CCC(OCC2CO2)C(CC2CCC(OCC3CS3)CC2)C1
InChIInChI=1S/C19H32O3S/c1-2-4-19(22-11-17-10-20-17)15(3-1)9-14-5-7-16(8-6-14)21-12-18-13-23-18/h14-19H,1-13H2
InChIKeyOMFMCCJGUFUKPJ-UHFFFAOYSA-N
XLogP4.04
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane with MolForge

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Related Compounds

(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
2-[(2-ethylcyclohexyl)methyl]oxirane;2-[(2-ethylcyclohexyl)oxymethyl]oxirane
CID 159077694
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
CID 167078198
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
CID 97179782
(3R)-1-methyl-3-[[(2R)-oxiran-2-yl]methoxy]piperidine
CID 124845730
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
2-[[3,4-bis(oxiran-2-ylmethyl)cyclohexyl]oxymethyl]oxirane;methanamine
CID 174996449
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
[5-[[5-(cyclotridecyloxymethyl)-1,4-dioxan-2-yl]methoxymethyl]-1,4-dioxan-2-yl]methanol
CID 155137470
2-[[3-ethyl-4-[[2-ethyl-4-(oxiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane
CID 139990267
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane (CID 175164070) is 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane is C1CCC(OCC2CO2)C(CC2CCC(OCC3CS3)CC2)C1.
What is the InChIKey of 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
The InChIKey is OMFMCCJGUFUKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3S/c1-2-4-19(22-11-17-10-20-17)15(3-1)9-14-5-7-16(8-6-14)21-12-18-13-23-18/h14-19H,1-13H2.
What are the key properties of 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane?
2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane has a molecular weight of 340.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(thiiran-2-ylmethoxy)cyclohexyl]methyl]cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 175164070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).