2-(2,2-diethoxyethylsulfanyl)-2-methylpropane

C10H22O2S — CID 10998208

IUPAC2-(2,2-diethoxyethylsulfanyl)-2-methylpropane
SMILESCCOC(CSC(C)(C)C)OCC
InChIInChI=1S/C10H22O2S/c1-6-11-9(12-7-2)8-13-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyWYTLRTSUMWWKRV-UHFFFAOYSA-N
MW206.35 g/mol
LogP2.92
Rot. Bonds6

About 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane

2-(2,2-diethoxyethylsulfanyl)-2-methylpropane (PubChem CID 10998208) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(2,2-diethoxyethylsulfanyl)-2-methylpropane
PubChem CID10998208
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name2-(2,2-diethoxyethylsulfanyl)-2-methylpropane
SMILESCCOC(CSC(C)(C)C)OCC
InChIInChI=1S/C10H22O2S/c1-6-11-9(12-7-2)8-13-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyWYTLRTSUMWWKRV-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(tert-butylsulfanylmethyl)propanedioate
CID 57141018
2-(2,2-diethoxyethoxy)-2-methylpropane
CID 63628405
2-(2,2-diethoxyethylsulfanyl)ethanamine
CID 54166534
lithium 1,1-diethoxypropane
CID 11355511
2,2-diethoxyethylsulfanyl-diethoxy-ethyl-λ4-sulfane
CID 53406314
2-(3,3-diethoxypropylsulfanyl)-2-methylpropanoic acid
CID 81223425
CID 57451317
CID 57451317
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448
(2S)-N-(2-tert-butylsulfanylethyl)-2-ethoxypropanamide
CID 95174714
1-ethoxypropyl 2,2-dimethylbutanoate
CID 20767514
4-(2,2-diethoxyethylsulfanyl)benzoic acid
CID 80503201
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
CID 115895379

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane (CID 10998208) is 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane is CCOC(CSC(C)(C)C)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane?
The InChIKey is WYTLRTSUMWWKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-6-11-9(12-7-2)8-13-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane?
2-(2,2-diethoxyethylsulfanyl)-2-methylpropane has a molecular weight of 206.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 10998208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).