2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane

C14H24OS — CID 143018600

IUPAC2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane
SMILESCC1CC2SC2C1.CC1CCC(C2CO2)C1
InChIInChI=1S/C8H14O.C6H10S/c1-6-2-3-7(4-6)8-5-9-8;1-4-2-5-6(3-4)7-5/h6-8H,2-5H2,1H3;4-6H,2-3H2,1H3
InChIKeyOLKVPNVTUBZXGO-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.72
Rot. Bonds1

About 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane

2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane (PubChem CID 143018600) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane
PubChem CID143018600
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane
SMILESCC1CC2SC2C1.CC1CCC(C2CO2)C1
InChIInChI=1S/C8H14O.C6H10S/c1-6-2-3-7(4-6)8-5-9-8;1-4-2-5-6(3-4)7-5/h6-8H,2-5H2,1H3;4-6H,2-3H2,1H3
InChIKeyOLKVPNVTUBZXGO-UHFFFAOYSA-N
XLogP3.72
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.72
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

3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839769
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
CID 157385878
CID 157385878
2,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839644
5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran;propane
CID 164925413
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
(4S)-6,11-dimethyl-9-thiatricyclo[6.2.1.04,10]undecane
CID 167017357
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(4aR,6R,8aS)-6-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 102238338

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane?
The IUPAC name of 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane (CID 143018600) is 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane is CC1CC2SC2C1.CC1CCC(C2CO2)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane?
The InChIKey is OLKVPNVTUBZXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H10S/c1-6-2-3-7(4-6)8-5-9-8;1-4-2-5-6(3-4)7-5/h6-8H,2-5H2,1H3;4-6H,2-3H2,1H3.
What are the key properties of 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane?
2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane has a molecular weight of 240.41 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)oxirane;3-methyl-6-thiabicyclo[3.1.0]hexane is sourced from PubChem (CID 143018600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).