trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane

C11H26OS — CID 123289116

IUPACtrimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane
SMILESCCC(C)(C)OCCCS(C)(C)C
InChIInChI=1S/C11H26OS/c1-7-11(2,3)12-9-8-10-13(4,5)6/h7-10H2,1-6H3
InChIKeyIUJVHKGZNHRAQR-UHFFFAOYSA-N
MW206.39 g/mol
LogP3.28
Rot. Bonds6

About trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane

trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane (PubChem CID 123289116) has the molecular formula C11H26OS and a molecular weight of 206.39 g/mol. Its IUPAC name is trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane
PubChem CID123289116
Molecular FormulaC11H26OS
Molecular Weight206.39 g/mol
Exact Mass206.17
IUPAC Nametrimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane
SMILESCCC(C)(C)OCCCS(C)(C)C
InChIInChI=1S/C11H26OS/c1-7-11(2,3)12-9-8-10-13(4,5)6/h7-10H2,1-6H3
InChIKeyIUJVHKGZNHRAQR-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 10910079
Butyraldehyde di-t-butyl thioacetal
CID 129804305
1,3-Oxathiane, 2-isopropyl-2-methyl-
CID 575852
2,2-Dimethyl-5-propan-2-yl-1,4-oxathiane
CID 18541818
2-Ethoxy-2-methyl-1-methylsulfanylpropane
CID 20798622
2-(2-Tert-butylsulfanylethoxy)-2-methylpropane
CID 57887445
2-Methyl-2-(2-methylsulfanylethoxy)propane
CID 57917148
2-Methyl-2-(3-methylsulfanylpropoxy)propane
CID 58894079
1-Methyl-1-(2-methylsulfanylethoxy)cyclobutane
CID 58894082
(5R)-2-ethyl-2,5-dimethyl-1,4-oxathiane
CID 59062063
3-Methyl-1-(2-propan-2-yloxyethylsulfanyl)butane
CID 59855715
2,2-Dimethyl-1-(3-methylsulfanylpropoxy)propane
CID 87678413

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane?
The IUPAC name of trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane (CID 123289116) is trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane is CCC(C)(C)OCCCS(C)(C)C.
What is the InChIKey of trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane?
The InChIKey is IUJVHKGZNHRAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26OS/c1-7-11(2,3)12-9-8-10-13(4,5)6/h7-10H2,1-6H3.
What are the key properties of trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane?
trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane has a molecular weight of 206.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylbutan-2-yloxy)propyl]-λ4-sulfane is sourced from PubChem (CID 123289116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).