4-cyclopropylsulfonyl-4-methyloxane

C9H16O3S — CID 58169937

IUPAC4-cyclopropylsulfonyl-4-methyloxane
SMILESCC1(S(=O)(=O)C2CC2)CCOCC1
InChIInChI=1S/C9H16O3S/c1-9(4-6-12-7-5-9)13(10,11)8-2-3-8/h8H,2-7H2,1H3
InChIKeySKDLCRCIVJMDHH-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.13
Rot. Bonds2

About 4-cyclopropylsulfonyl-4-methyloxane

4-cyclopropylsulfonyl-4-methyloxane (PubChem CID 58169937) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-4-methyloxane.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-4-methyloxane
PubChem CID58169937
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name4-cyclopropylsulfonyl-4-methyloxane
SMILESCC1(S(=O)(=O)C2CC2)CCOCC1
InChIInChI=1S/C9H16O3S/c1-9(4-6-12-7-5-9)13(10,11)8-2-3-8/h8H,2-7H2,1H3
InChIKeySKDLCRCIVJMDHH-UHFFFAOYSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Tert-butylsulfonylmethyl)oxane
CID 57881315
4-(2,3-Dimethylbutan-2-ylsulfonylmethyl)-4-methyloxane
CID 58042674
4-Methyl-4-methylsulfonyloxane
CID 58169936
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
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
2-Propan-2-ylsulfonyloxane
CID 66633209

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-4-methyloxane?
The IUPAC name of 4-cyclopropylsulfonyl-4-methyloxane (CID 58169937) is 4-cyclopropylsulfonyl-4-methyloxane.
What is the SMILES notation for 4-cyclopropylsulfonyl-4-methyloxane?
The canonical SMILES for 4-cyclopropylsulfonyl-4-methyloxane is CC1(S(=O)(=O)C2CC2)CCOCC1.
What is the InChIKey of 4-cyclopropylsulfonyl-4-methyloxane?
The InChIKey is SKDLCRCIVJMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-9(4-6-12-7-5-9)13(10,11)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of 4-cyclopropylsulfonyl-4-methyloxane?
4-cyclopropylsulfonyl-4-methyloxane has a molecular weight of 204.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-4-methyloxane is sourced from PubChem (CID 58169937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).