2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane

C11H20O2S — CID 89184934

IUPAC2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane
SMILESCSC1CC(C)CC1COCC1CO1
InChIInChI=1S/C11H20O2S/c1-8-3-9(11(4-8)14-2)5-12-6-10-7-13-10/h8-11H,3-7H2,1-2H3
InChIKeyHVMPVCWXTSQMIZ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.18
Rot. Bonds5

About 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane

2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane (PubChem CID 89184934) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane
PubChem CID89184934
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane
SMILESCSC1CC(C)CC1COCC1CO1
InChIInChI=1S/C11H20O2S/c1-8-3-9(11(4-8)14-2)5-12-6-10-7-13-10/h8-11H,3-7H2,1-2H3
InChIKeyHVMPVCWXTSQMIZ-UHFFFAOYSA-N
XLogP2.18
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.18
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

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-[(5-methyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]oxirane
CID 126625635
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
diethoxy(dimethyl)silane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158655964
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
1-methylsulfanyl-2-(sulfanyloxymethyl)cyclopropane
CID 123504637
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane?
The IUPAC name of 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane (CID 89184934) is 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane.
What is the SMILES notation for 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane?
The canonical SMILES for 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane is CSC1CC(C)CC1COCC1CO1.
What is the InChIKey of 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane?
The InChIKey is HVMPVCWXTSQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-8-3-9(11(4-8)14-2)5-12-6-10-7-13-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane?
2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane has a molecular weight of 216.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-methylsulfanylcyclopentyl)methoxymethyl]oxirane is sourced from PubChem (CID 89184934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).