[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate

C16H24O6S2 — CID 155355976

IUPAC[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC1CC2C3CC(COS(=O)(=O)C=C)C(C3)C2C1
InChIInChI=1S/C16H24O6S2/c1-3-23(17,18)21-9-11-5-14-12-7-13(10-22-24(19,20)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2
InChIKeyHXXIUPZRPABVEM-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.26
Rot. Bonds8

About [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate

[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate (PubChem CID 155355976) has the molecular formula C16H24O6S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate.

Molecular Properties

Compound Name[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate
PubChem CID155355976
Molecular FormulaC16H24O6S2
Molecular Weight376.50 g/mol
Exact Mass376.10
IUPAC Name[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate
SMILESC=CS(=O)(=O)OCC1CC2C3CC(COS(=O)(=O)C=C)C(C3)C2C1
InChIInChI=1S/C16H24O6S2/c1-3-23(17,18)21-9-11-5-14-12-7-13(10-22-24(19,20)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2
InChIKeyHXXIUPZRPABVEM-UHFFFAOYSA-N
XLogP2.26
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate?
The IUPAC name of [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate (CID 155355976) is [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate.
What is the SMILES notation for [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate?
The canonical SMILES for [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate is C=CS(=O)(=O)OCC1CC2C3CC(COS(=O)(=O)C=C)C(C3)C2C1.
What is the InChIKey of [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate?
The InChIKey is HXXIUPZRPABVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6S2/c1-3-23(17,18)21-9-11-5-14-12-7-13(10-22-24(19,20)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2.
What are the key properties of [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate?
[8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate has a molecular weight of 376.50 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(ethenylsulfonyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl ethenesulfonate is sourced from PubChem (CID 155355976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).