7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride

C9H15ClO3S — CID 155822982

IUPAC7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC2(CCOCC2)C1
InChIInChI=1S/C9H15ClO3S/c10-14(11,12)7-8-5-9(6-8)1-3-13-4-2-9/h8H,1-7H2
InChIKeyLIHOOFWMEFVVNO-UHFFFAOYSA-N
MW238.74 g/mol
LogP1.76
Rot. Bonds2

About 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride

7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride (PubChem CID 155822982) has the molecular formula C9H15ClO3S and a molecular weight of 238.74 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride
PubChem CID155822982
Molecular FormulaC9H15ClO3S
Molecular Weight238.74 g/mol
Exact Mass238.04
IUPAC Name7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CC2(CCOCC2)C1
InChIInChI=1S/C9H15ClO3S/c10-14(11,12)7-8-5-9(6-8)1-3-13-4-2-9/h8H,1-7H2
InChIKeyLIHOOFWMEFVVNO-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride?
The IUPAC name of 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride (CID 155822982) is 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride?
The canonical SMILES for 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride?
The InChIKey is LIHOOFWMEFVVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO3S/c10-14(11,12)7-8-5-9(6-8)1-3-13-4-2-9/h8H,1-7H2.
What are the key properties of 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride?
7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride has a molecular weight of 238.74 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonan-2-ylmethanesulfonyl chloride is sourced from PubChem (CID 155822982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).