[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane

C11H26O2S — CID 134565673

IUPAC[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane
SMILESCOCCCOC(C)(C)CS(C)(C)C
InChIInChI=1S/C11H26O2S/c1-11(2,10-14(4,5)6)13-9-7-8-12-3/h7-10H2,1-6H3
InChIKeyKCHZJELIACCIFM-UHFFFAOYSA-N
MW222.39 g/mol
LogP2.51
Rot. Bonds7

About [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane

[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane (PubChem CID 134565673) has the molecular formula C11H26O2S and a molecular weight of 222.39 g/mol. Its IUPAC name is [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane
PubChem CID134565673
Molecular FormulaC11H26O2S
Molecular Weight222.39 g/mol
Exact Mass222.17
IUPAC Name[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane
SMILESCOCCCOC(C)(C)CS(C)(C)C
InChIInChI=1S/C11H26O2S/c1-11(2,10-14(4,5)6)13-9-7-8-12-3/h7-10H2,1-6H3
InChIKeyKCHZJELIACCIFM-UHFFFAOYSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane?
The IUPAC name of [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane (CID 134565673) is [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane.
What is the SMILES notation for [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane?
The canonical SMILES for [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane is COCCCOC(C)(C)CS(C)(C)C.
What is the InChIKey of [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane?
The InChIKey is KCHZJELIACCIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O2S/c1-11(2,10-14(4,5)6)13-9-7-8-12-3/h7-10H2,1-6H3.
What are the key properties of [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane?
[2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane has a molecular weight of 222.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropoxy)-2-methylpropyl]-trimethyl-λ4-sulfane is sourced from PubChem (CID 134565673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).