trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane

C9H22OS — CID 90758866

IUPACtrimethyl(3-methylpentan-3-yloxy)-λ4-sulfane
SMILESCCC(C)(CC)OS(C)(C)C
InChIInChI=1S/C9H22OS/c1-7-9(3,8-2)10-11(4,5)6/h7-8H2,1-6H3
InChIKeyCXPNRDQUKIMFSI-UHFFFAOYSA-N
MW178.34 g/mol
LogP3.19
Rot. Bonds4

About trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane

trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane (PubChem CID 90758866) has the molecular formula C9H22OS and a molecular weight of 178.34 g/mol. Its IUPAC name is trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(3-methylpentan-3-yloxy)-λ4-sulfane
PubChem CID90758866
Molecular FormulaC9H22OS
Molecular Weight178.34 g/mol
Exact Mass178.14
IUPAC Nametrimethyl(3-methylpentan-3-yloxy)-λ4-sulfane
SMILESCCC(C)(CC)OS(C)(C)C
InChIInChI=1S/C9H22OS/c1-7-9(3,8-2)10-11(4,5)6/h7-8H2,1-6H3
InChIKeyCXPNRDQUKIMFSI-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane?
The IUPAC name of trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane (CID 90758866) is trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane.
What is the SMILES notation for trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane?
The canonical SMILES for trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane is CCC(C)(CC)OS(C)(C)C.
What is the InChIKey of trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane?
The InChIKey is CXPNRDQUKIMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OS/c1-7-9(3,8-2)10-11(4,5)6/h7-8H2,1-6H3.
What are the key properties of trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane?
trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane has a molecular weight of 178.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methylpentan-3-yloxy)-λ4-sulfane is sourced from PubChem (CID 90758866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).