5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride

C6H9ClO4S — CID 155858380

IUPAC5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(C1)OCCO2
InChIInChI=1S/C6H9ClO4S/c7-12(8,9)5-3-6(4-5)10-1-2-11-6/h5H,1-4H2
InChIKeyFRIVRUVLGHGJAE-UHFFFAOYSA-N
MW212.65 g/mol
LogP0.46
Rot. Bonds1

About 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride

5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride (PubChem CID 155858380) has the molecular formula C6H9ClO4S and a molecular weight of 212.65 g/mol. Its IUPAC name is 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride.

Molecular Properties

Compound Name5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride
PubChem CID155858380
Molecular FormulaC6H9ClO4S
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Name5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC2(C1)OCCO2
InChIInChI=1S/C6H9ClO4S/c7-12(8,9)5-3-6(4-5)10-1-2-11-6/h5H,1-4H2
InChIKeyFRIVRUVLGHGJAE-UHFFFAOYSA-N
XLogP0.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
7,8-ditert-butyl-1,4-dioxaspiro[4.4]nonane
CID 130396664
2-tert-butyl-5,8-dioxaspiro[3.4]octane
CID 138672396
spiro[2.5]octane-7-sulfonyl chloride
CID 165446788
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
bicyclo[3.1.0]hexane-3-sulfonyl chloride
CID 131288995
3-oxocyclobutane-1-sulfonyl chloride
CID 131558939
7-cyclopentylsulfonyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64674104
ethyl 5,8-dioxaspiro[3.4]octane-2-carboxylate
CID 86713762
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522

Frequently Asked Questions

What is the IUPAC name of 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride?
The IUPAC name of 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride (CID 155858380) is 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride.
What is the SMILES notation for 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride?
The canonical SMILES for 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride is O=S(=O)(Cl)C1CC2(C1)OCCO2.
What is the InChIKey of 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride?
The InChIKey is FRIVRUVLGHGJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO4S/c7-12(8,9)5-3-6(4-5)10-1-2-11-6/h5H,1-4H2.
What are the key properties of 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride?
5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride has a molecular weight of 212.65 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxaspiro[3.4]octane-2-sulfonyl chloride is sourced from PubChem (CID 155858380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).