6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

C12H22O2S — CID 59161517

IUPAC6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)C1(C(C)C)CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C12H22O2S/c1-9(2)12(10(3)4)5-11(6-12)7-15(13,14)8-11/h9-10H,5-8H2,1-4H3
InChIKeyVDSHAGUVGAGAJU-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.49
Rot. Bonds2

About 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide

6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (PubChem CID 59161517) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.

Molecular Properties

Compound Name6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
PubChem CID59161517
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide
SMILESCC(C)C1(C(C)C)CC2(C1)CS(=O)(=O)C2
InChIInChI=1S/C12H22O2S/c1-9(2)12(10(3)4)5-11(6-12)7-15(13,14)8-11/h9-10H,5-8H2,1-4H3
InChIKeyVDSHAGUVGAGAJU-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The IUPAC name of 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide (CID 59161517) is 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide.
What is the SMILES notation for 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The canonical SMILES for 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is CC(C)C1(C(C)C)CC2(C1)CS(=O)(=O)C2.
What is the InChIKey of 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
The InChIKey is VDSHAGUVGAGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c1-9(2)12(10(3)4)5-11(6-12)7-15(13,14)8-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide?
6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide has a molecular weight of 230.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(propan-2-yl)-2λ6-thiaspiro[3.3]heptane 2,2-dioxide is sourced from PubChem (CID 59161517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).