[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-oxopent-4-enyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 54552642
[8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-methoxybut-2-enoate
CID 139788272
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
[(1R,2S,4R,6R,7R,8S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 121488643
[(2S,6S)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol
CID 170200761
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate;[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 162064612
[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 3-[[8-[[[3-oxo-3-[[8-(prop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methoxy]propyl]-propanoylamino]methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl-propanoylamino]propanoate
CID 58319791
(4-methyl-8-tricyclo[5.2.1.02,6]decanyl)methyl acetate
CID 126489359
4-O-[[4-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl] 1-O,2-O-bis[[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl] benzene-1,2,4-tricarboxylate
CID 59798461
[4-(nitrosomethyl)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 118501069
4,8-bis(2-methylprop-2-enyl)tricyclo[5.2.1.02,6]decane
CID 156753274
[(2R)-8-(2-methylprop-2-enoyloxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methyl 9-[6-hexyl-3-octyl-2-[9-oxo-9-[[(2R)-4-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methoxy]nonyl]cyclohexyl]nonanoate
CID 89314912

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).