(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane

C12H24O3S — CID 59267877

IUPAC(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
SMILESCC(C)C(C)(C)S(=O)(=O)CC[C@H]1CCOC1
InChIInChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)8-6-11-5-7-15-9-11/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyQVNWDLNUVPUGSM-LLVKDONJSA-N
MW248.39 g/mol
LogP2.26
Rot. Bonds5

About (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane

(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane (PubChem CID 59267877) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane.

Molecular Properties

Compound Name(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
PubChem CID59267877
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane
SMILESCC(C)C(C)(C)S(=O)(=O)CC[C@H]1CCOC1
InChIInChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)8-6-11-5-7-15-9-11/h10-11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyQVNWDLNUVPUGSM-LLVKDONJSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Ethylhexyloxy)thiolane-1,1-dione
CID 324940
2-(2-Methylpropoxy)thiolane 1,1-dioxide
CID 18921416
3-Ethyl-2-methoxythiolane 1,1-dioxide
CID 53729688
4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-[2-(2,3-Dimethylbutan-2-ylsulfonyl)ethyl]oxane
CID 58201699
7-methyl-3,3a,4,6,7,7a-hexahydro-1H-thieno[3,4-c]pyran 2,2-dioxide
CID 58271293
4-Methyl-4-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
CID 58561980
3-(Methoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814892
3-(Ethoxymethyl)-3-(2-methylpropylsulfonyl)pentane
CID 58814902
4-Methyl-4-(2-methylpropylsulfonyl)oxane
CID 58814935
2,2-Dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide
CID 58814946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The IUPAC name of (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane (CID 59267877) is (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane.
What is the SMILES notation for (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The canonical SMILES for (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane is CC(C)C(C)(C)S(=O)(=O)CC[C@H]1CCOC1.
What is the InChIKey of (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane?
The InChIKey is QVNWDLNUVPUGSM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24O3S/c1-10(2)12(3,4)16(13,14)8-6-11-5-7-15-9-11/h10-11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane?
(3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane has a molecular weight of 248.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(2,3-dimethylbutan-2-ylsulfonyl)ethyl]oxolane is sourced from PubChem (CID 59267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).