2-[(1-methylcyclobutyl)oxymethyl]oxirane

C8H14O2 — CID 175392123

IUPAC2-[(1-methylcyclobutyl)oxymethyl]oxirane
SMILESCC1(OCC2CO2)CCC1
InChIInChI=1S/C8H14O2/c1-8(3-2-4-8)10-6-7-5-9-7/h7H,2-6H2,1H3
InChIKeyULZRCEMKQSUVIG-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.34
Rot. Bonds3

About 2-[(1-methylcyclobutyl)oxymethyl]oxirane

2-[(1-methylcyclobutyl)oxymethyl]oxirane (PubChem CID 175392123) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-[(1-methylcyclobutyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1-methylcyclobutyl)oxymethyl]oxirane
PubChem CID175392123
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-[(1-methylcyclobutyl)oxymethyl]oxirane
SMILESCC1(OCC2CO2)CCC1
InChIInChI=1S/C8H14O2/c1-8(3-2-4-8)10-6-7-5-9-7/h7H,2-6H2,1H3
InChIKeyULZRCEMKQSUVIG-UHFFFAOYSA-N
XLogP1.34
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.34
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-[(1-ethylcyclobutyl)oxymethyl]oxirane
CID 175392110
2-[(1-ethylcyclohexyl)oxymethyl]oxirane
CID 19817909
2,2-dimethylcyclohexane-1,1-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 19096529
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647
2-[(1-propa-1,2-dienylcyclohexyl)oxymethyl]oxirane
CID 101456886
2-[[3,5-bis(oxiran-2-ylmethoxy)-1-adamantyl]oxymethyl]oxirane
CID 23113216
2-[(2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecafluoro-1-adamantyl)oxymethyl]oxirane
CID 59687219
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2,2,6,6-tetramethyl-1-oxido-4-(oxiran-2-ylmethoxy)piperidine
CID 14274507
6-methyl-6-[[(2S)-oxiran-2-yl]methoxy]cyclohexa-2,4-diene-1-carboxamide
CID 87956536
methyl-tris(oxiran-2-ylmethoxy)silane
CID 22460133
2-[(4-methyl-1-propa-1,2-dienylcyclohexyl)oxymethyl]oxirane
CID 101456889

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclobutyl)oxymethyl]oxirane?
The IUPAC name of 2-[(1-methylcyclobutyl)oxymethyl]oxirane (CID 175392123) is 2-[(1-methylcyclobutyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1-methylcyclobutyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1-methylcyclobutyl)oxymethyl]oxirane is CC1(OCC2CO2)CCC1.
What is the InChIKey of 2-[(1-methylcyclobutyl)oxymethyl]oxirane?
The InChIKey is ULZRCEMKQSUVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(3-2-4-8)10-6-7-5-9-7/h7H,2-6H2,1H3.
What are the key properties of 2-[(1-methylcyclobutyl)oxymethyl]oxirane?
2-[(1-methylcyclobutyl)oxymethyl]oxirane has a molecular weight of 142.20 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclobutyl)oxymethyl]oxirane is sourced from PubChem (CID 175392123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).