(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane

C13H26O3S — CID 59253296

IUPAC(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)CC[C@@H]1CCOC1
InChIInChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)9-7-11-6-8-16-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyWBUJRNOWNXLGPL-NSHDSACASA-N
MW262.41 g/mol
LogP2.65
Rot. Bonds4

About (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane

(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane (PubChem CID 59253296) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane.

Molecular Properties

Compound Name(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
PubChem CID59253296
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)CC[C@@H]1CCOC1
InChIInChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)9-7-11-6-8-16-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyWBUJRNOWNXLGPL-NSHDSACASA-N
XLogP2.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-Difluoro-3-methylbutoxy)methyl]-3,4,4-trimethylthiolane 1,1-dioxide
CID 122450421
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-(2,3,3-Trimethylbutan-2-ylsulfonyl)oxane
CID 58201682
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
4-Methyl-4-(2-methylpropylsulfonyl)oxane
CID 58814935
(3S)-3-(2,3-dimethylbutan-2-ylsulfonylmethyl)oxolane
CID 59253196
4-(2,3,3-Trimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253222
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)oxane
CID 59253235
4-(2,3-Dimethylbutan-2-ylsulfonyl)oxane
CID 59253265

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The IUPAC name of (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane (CID 59253296) is (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane.
What is the SMILES notation for (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The canonical SMILES for (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane is CC(C)(C)C(C)(C)S(=O)(=O)CC[C@@H]1CCOC1.
What is the InChIKey of (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The InChIKey is WBUJRNOWNXLGPL-NSHDSACASA-N. The full InChI is InChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)9-7-11-6-8-16-10-11/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane?
(3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane has a molecular weight of 262.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2,3,3-trimethylbutan-2-ylsulfonyl)ethyl]oxolane is sourced from PubChem (CID 59253296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).