2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane

C11H20O3 — CID 167078198

IUPAC2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
SMILESCOCC1CCC(OCC2CO2)CC1
InChIInChI=1S/C11H20O3/c1-12-6-9-2-4-10(5-3-9)13-7-11-8-14-11/h9-11H,2-8H2,1H3
InChIKeyBIAJDGKZRVUHPV-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.61
Rot. Bonds5

About 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane

2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane (PubChem CID 167078198) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
PubChem CID167078198
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane
SMILESCOCC1CCC(OCC2CO2)CC1
InChIInChI=1S/C11H20O3/c1-12-6-9-2-4-10(5-3-9)13-7-11-8-14-11/h9-11H,2-8H2,1H3
InChIKeyBIAJDGKZRVUHPV-UHFFFAOYSA-N
XLogP1.61
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
2-[[4-[2-[4-[1,1-bis[4-(oxiran-2-ylmethoxy)cyclohexyl]ethyl]cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 118282146
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
1,4-bis(cyclopropylmethoxy)cyclohexane
CID 147967519
4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
CID 63972885
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
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
1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899769
2-[[4-[2-[4-(2,2-dimethylbut-3-enoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane
CID 140564892
diiodovanadium;2-(methoxymethyl)oxirane
CID 158509470
(3S)-1-methyl-3-[[(2S)-oxiran-2-yl]methoxy]piperidine
CID 97179782

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane?
The IUPAC name of 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane (CID 167078198) is 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane?
The canonical SMILES for 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane is COCC1CCC(OCC2CO2)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane?
The InChIKey is BIAJDGKZRVUHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-12-6-9-2-4-10(5-3-9)13-7-11-8-14-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane?
2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane has a molecular weight of 200.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)cyclohexyl]oxymethyl]oxirane is sourced from PubChem (CID 167078198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).