2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane

C10H22O2S — CID 87233502

IUPAC2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
SMILESCOC(C)C(C)SC(C)C(C)OC
InChIInChI=1S/C10H22O2S/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-10H,1-6H3
InChIKeyZUBVEPLJXZXFBX-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.57
Rot. Bonds6

About 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane

2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane (PubChem CID 87233502) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane.

Molecular Properties

Compound Name2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
PubChem CID87233502
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane
SMILESCOC(C)C(C)SC(C)C(C)OC
InChIInChI=1S/C10H22O2S/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-10H,1-6H3
InChIKeyZUBVEPLJXZXFBX-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane 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-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane?
The IUPAC name of 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane (CID 87233502) is 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane.
What is the SMILES notation for 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane?
The canonical SMILES for 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane is COC(C)C(C)SC(C)C(C)OC.
What is the InChIKey of 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane?
The InChIKey is ZUBVEPLJXZXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-7(11-5)9(3)13-10(4)8(2)12-6/h7-10H,1-6H3.
What are the key properties of 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane?
2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane has a molecular weight of 206.35 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methoxybutan-2-ylsulfanyl)butane is sourced from PubChem (CID 87233502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).