4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene

C15H24O3S — CID 165038300

IUPAC4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene
SMILESCC1=CCC2(CC1)COC2.CC1=CCS(=O)(=O)CC1
InChIInChI=1S/C9H14O.C6H10O2S/c1-8-2-4-9(5-3-8)6-10-7-9;1-6-2-4-9(7,8)5-3-6/h2H,3-7H2,1H3;2H,3-5H2,1H3
InChIKeyNSNOBMJEGWUMRV-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.88
Rot. Bonds

About 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene

4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene (PubChem CID 165038300) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene.

Molecular Properties

Compound Name4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene
PubChem CID165038300
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene
SMILESCC1=CCC2(CC1)COC2.CC1=CCS(=O)(=O)CC1
InChIInChI=1S/C9H14O.C6H10O2S/c1-8-2-4-9(5-3-8)6-10-7-9;1-6-2-4-9(7,8)5-3-6/h2H,3-7H2,1H3;2H,3-5H2,1H3
InChIKeyNSNOBMJEGWUMRV-UHFFFAOYSA-N
XLogP2.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.88
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 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene?
The IUPAC name of 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene (CID 165038300) is 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene.
What is the SMILES notation for 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene?
The canonical SMILES for 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene is CC1=CCC2(CC1)COC2.CC1=CCS(=O)(=O)CC1.
What is the InChIKey of 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene?
The InChIKey is NSNOBMJEGWUMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C6H10O2S/c1-8-2-4-9(5-3-8)6-10-7-9;1-6-2-4-9(7,8)5-3-6/h2H,3-7H2,1H3;2H,3-5H2,1H3.
What are the key properties of 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene?
4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene has a molecular weight of 284.42 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-dihydro-2H-thiopyran 1,1-dioxide;7-methyl-2-oxaspiro[3.5]non-6-ene is sourced from PubChem (CID 165038300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).