(2S)-2-(2-methylprop-2-enylsulfonyl)oxane

C9H16O3S — CID 162786691

IUPAC(2S)-2-(2-methylprop-2-enylsulfonyl)oxane
SMILESC=C(C)CS(=O)(=O)[C@H]1CCCCO1
InChIInChI=1S/C9H16O3S/c1-8(2)7-13(10,11)9-5-3-4-6-12-9/h9H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyIRIVQRFOEIALEW-VIFPVBQESA-N
MW204.29 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-(2-methylprop-2-enylsulfonyl)oxane

(2S)-2-(2-methylprop-2-enylsulfonyl)oxane (PubChem CID 162786691) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is (2S)-2-(2-methylprop-2-enylsulfonyl)oxane.

Molecular Properties

Compound Name(2S)-2-(2-methylprop-2-enylsulfonyl)oxane
PubChem CID162786691
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name(2S)-2-(2-methylprop-2-enylsulfonyl)oxane
SMILESC=C(C)CS(=O)(=O)[C@H]1CCCCO1
InChIInChI=1S/C9H16O3S/c1-8(2)7-13(10,11)9-5-3-4-6-12-9/h9H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyIRIVQRFOEIALEW-VIFPVBQESA-N
XLogP1.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylprop-2-enylsulfonyl)oxane?
The IUPAC name of (2S)-2-(2-methylprop-2-enylsulfonyl)oxane (CID 162786691) is (2S)-2-(2-methylprop-2-enylsulfonyl)oxane.
What is the SMILES notation for (2S)-2-(2-methylprop-2-enylsulfonyl)oxane?
The canonical SMILES for (2S)-2-(2-methylprop-2-enylsulfonyl)oxane is C=C(C)CS(=O)(=O)[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-(2-methylprop-2-enylsulfonyl)oxane?
The InChIKey is IRIVQRFOEIALEW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O3S/c1-8(2)7-13(10,11)9-5-3-4-6-12-9/h9H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(2-methylprop-2-enylsulfonyl)oxane?
(2S)-2-(2-methylprop-2-enylsulfonyl)oxane has a molecular weight of 204.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylprop-2-enylsulfonyl)oxane is sourced from PubChem (CID 162786691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).