(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane

C15H30O2S — CID 142076390

IUPAC(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane
SMILESCC1C(OS(C(C)C)(C(C)C)C(C)C)CC2OC21
InChIInChI=1S/C15H30O2S/c1-9(2)18(10(3)4,11(5)6)17-13-8-14-15(16-14)12(13)7/h9-15H,8H2,1-7H3
InChIKeyMQEJYXBGEWSROB-UHFFFAOYSA-N
MW274.47 g/mol
LogP4.12
Rot. Bonds5

About (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane

(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane (PubChem CID 142076390) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Name(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane
PubChem CID142076390
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Name(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane
SMILESCC1C(OS(C(C)C)(C(C)C)C(C)C)CC2OC21
InChIInChI=1S/C15H30O2S/c1-9(2)18(10(3)4,11(5)6)17-13-8-14-15(16-14)12(13)7/h9-15H,8H2,1-7H3
InChIKeyMQEJYXBGEWSROB-UHFFFAOYSA-N
XLogP4.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane?
The IUPAC name of (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane (CID 142076390) is (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane.
What is the SMILES notation for (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane?
The canonical SMILES for (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane is CC1C(OS(C(C)C)(C(C)C)C(C)C)CC2OC21.
What is the InChIKey of (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane?
The InChIKey is MQEJYXBGEWSROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S/c1-9(2)18(10(3)4,11(5)6)17-13-8-14-15(16-14)12(13)7/h9-15H,8H2,1-7H3.
What are the key properties of (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane?
(2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane has a molecular weight of 274.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6-oxabicyclo[3.1.0]hexan-3-yl)oxy-tri(propan-2-yl)-λ4-sulfane is sourced from PubChem (CID 142076390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).