5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane

C15H32O3S — CID 158808119

IUPAC5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane
SMILESCC(C)S(=O)(=O)CC(C)(C)CCCOCC(C)(C)C
InChIInChI=1S/C15H32O3S/c1-13(2)19(16,17)12-15(6,7)9-8-10-18-11-14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyDERLGGYWFLACSH-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.68
Rot. Bonds8

About 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane

5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane (PubChem CID 158808119) has the molecular formula C15H32O3S and a molecular weight of 292.49 g/mol. Its IUPAC name is 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane.

Molecular Properties

Compound Name5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane
PubChem CID158808119
Molecular FormulaC15H32O3S
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Name5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane
SMILESCC(C)S(=O)(=O)CC(C)(C)CCCOCC(C)(C)C
InChIInChI=1S/C15H32O3S/c1-13(2)19(16,17)12-15(6,7)9-8-10-18-11-14(3,4)5/h13H,8-12H2,1-7H3
InChIKeyDERLGGYWFLACSH-UHFFFAOYSA-N
XLogP3.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.68
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

3-Butyl-3-ethyl-1,5-oxathiocane 5,5-dioxide
CID 57604407
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
4-(2,3,3-Trimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253222
(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
CID 59253296
4-(2-Methylbutan-2-ylsulfonyl)oxane
CID 66695303
4-Methyl-4-(2-methylbutan-2-ylsulfonylmethyl)oxane
CID 68205798
1-(2-Methoxyethylsulfonyl)-3,3-dimethylbutane
CID 88274312
3-(Ethoxymethyl)-3-ethylsulfonylpentane
CID 88883852
4-(2,2,3,3-Tetramethylbutylsulfonyl)oxane
CID 89697674
4-(2,2-Dimethylpropylsulfonyl)oxane
CID 89698310

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane?
The IUPAC name of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane (CID 158808119) is 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane.
What is the SMILES notation for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane?
The canonical SMILES for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane is CC(C)S(=O)(=O)CC(C)(C)CCCOCC(C)(C)C.
What is the InChIKey of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane?
The InChIKey is DERLGGYWFLACSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3S/c1-13(2)19(16,17)12-15(6,7)9-8-10-18-11-14(3,4)5/h13H,8-12H2,1-7H3.
What are the key properties of 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane?
5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane has a molecular weight of 292.49 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropoxy)-2,2-dimethyl-1-propan-2-ylsulfonylpentane is sourced from PubChem (CID 158808119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).