3-propan-2-yl-3-propan-2-ylsulfanyloxetane

C9H18OS — CID 164846026

IUPAC3-propan-2-yl-3-propan-2-ylsulfanyloxetane
SMILESCC(C)SC1(C(C)C)COC1
InChIInChI=1S/C9H18OS/c1-7(2)9(5-10-6-9)11-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMWEXPTVKECWZNV-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds3

About 3-propan-2-yl-3-propan-2-ylsulfanyloxetane

3-propan-2-yl-3-propan-2-ylsulfanyloxetane (PubChem CID 164846026) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-propan-2-yl-3-propan-2-ylsulfanyloxetane.

Molecular Properties

Compound Name3-propan-2-yl-3-propan-2-ylsulfanyloxetane
PubChem CID164846026
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name3-propan-2-yl-3-propan-2-ylsulfanyloxetane
SMILESCC(C)SC1(C(C)C)COC1
InChIInChI=1S/C9H18OS/c1-7(2)9(5-10-6-9)11-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyMWEXPTVKECWZNV-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-propan-2-ylsulfanyloxetane?
The IUPAC name of 3-propan-2-yl-3-propan-2-ylsulfanyloxetane (CID 164846026) is 3-propan-2-yl-3-propan-2-ylsulfanyloxetane.
What is the SMILES notation for 3-propan-2-yl-3-propan-2-ylsulfanyloxetane?
The canonical SMILES for 3-propan-2-yl-3-propan-2-ylsulfanyloxetane is CC(C)SC1(C(C)C)COC1.
What is the InChIKey of 3-propan-2-yl-3-propan-2-ylsulfanyloxetane?
The InChIKey is MWEXPTVKECWZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-7(2)9(5-10-6-9)11-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-propan-2-yl-3-propan-2-ylsulfanyloxetane?
3-propan-2-yl-3-propan-2-ylsulfanyloxetane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-propan-2-ylsulfanyloxetane is sourced from PubChem (CID 164846026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).