1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane

C16H34O3S — CID 158851343

IUPAC1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane
SMILESCC(C)(C)COCCCS(=O)(=O)CC(C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3S/c1-14(2,3)12-19-10-9-11-20(17,18)13-16(7,8)15(4,5)6/h9-13H2,1-8H3
InChIKeyYGIWGYBIPSZJJM-UHFFFAOYSA-N
MW306.51 g/mol
LogP3.93
Rot. Bonds7

About 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane

1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane (PubChem CID 158851343) has the molecular formula C16H34O3S and a molecular weight of 306.51 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane
PubChem CID158851343
Molecular FormulaC16H34O3S
Molecular Weight306.51 g/mol
Exact Mass306.22
IUPAC Name1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane
SMILESCC(C)(C)COCCCS(=O)(=O)CC(C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3S/c1-14(2,3)12-19-10-9-11-20(17,18)13-16(7,8)15(4,5)6/h9-13H2,1-8H3
InChIKeyYGIWGYBIPSZJJM-UHFFFAOYSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-Methoxyethoxy)ethoxy]ethylsulfonyl]-3,3-dimethylbutane
CID 88274277
1-(2-Methoxyethylsulfonyl)-3,3-dimethylbutane
CID 88274312
3,3-Dimethyl-1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethylsulfonyl]butane
CID 88274316
1-[2-[2-(2-Ethoxyethoxy)ethoxy]ethylsulfonyl]-3,3-dimethylbutane
CID 88274319
1-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethylsulfonyl]-3,3-dimethylbutane
CID 88274327
1-[3-(2,2-Dimethylpropoxy)propylsulfonyl]-3,3-dimethylbutane
CID 131972630
1-(3-Methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
1-[3-(2,2-Dimethylpropoxy)propylsulfonyl]-2,3,3-trimethylbutane
CID 157472512
1-Tert-butylsulfonyl-5-(2,2-dimethylpropoxy)-2,2-dimethylpentane
CID 157472516
1-(2-Tert-butylsulfonylethoxy)-3,3-dimethylbutane
CID 159123159
1-Tert-butylsulfonyl-2,2-dimethylpropane;2-(2-methoxyethylsulfonyl)-2-methylpropane
CID 168420897
1-(2-Methoxyethylsulfonyl)-2,2-dimethylpropane
CID 170105428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane?
The IUPAC name of 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane (CID 158851343) is 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane.
What is the SMILES notation for 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane?
The canonical SMILES for 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane is CC(C)(C)COCCCS(=O)(=O)CC(C)(C)C(C)(C)C.
What is the InChIKey of 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane?
The InChIKey is YGIWGYBIPSZJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3S/c1-14(2,3)12-19-10-9-11-20(17,18)13-16(7,8)15(4,5)6/h9-13H2,1-8H3.
What are the key properties of 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane?
1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane has a molecular weight of 306.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropoxy)propylsulfonyl]-2,2,3,3-tetramethylbutane is sourced from PubChem (CID 158851343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).