10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate

C15H18O3S — CID 156754651

IUPAC10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate
SMILESCS(=O)(=O)OC12CC3CC1CC(C2)c1ccccc13
InChIInChI=1S/C15H18O3S/c1-19(16,17)18-15-8-10-6-12(15)7-11(9-15)14-5-3-2-4-13(10)14/h2-5,10-12H,6-9H2,1H3
InChIKeyJJIPTWYQDILCDS-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.79
Rot. Bonds2

About 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate

10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate (PubChem CID 156754651) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate.

Molecular Properties

Compound Name10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate
PubChem CID156754651
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate
SMILESCS(=O)(=O)OC12CC3CC1CC(C2)c1ccccc13
InChIInChI=1S/C15H18O3S/c1-19(16,17)18-15-8-10-6-12(15)7-11(9-15)14-5-3-2-4-13(10)14/h2-5,10-12H,6-9H2,1H3
InChIKeyJJIPTWYQDILCDS-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate?
The IUPAC name of 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate (CID 156754651) is 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate.
What is the SMILES notation for 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate?
The canonical SMILES for 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate is CS(=O)(=O)OC12CC3CC1CC(C2)c1ccccc13.
What is the InChIKey of 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate?
The InChIKey is JJIPTWYQDILCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3S/c1-19(16,17)18-15-8-10-6-12(15)7-11(9-15)14-5-3-2-4-13(10)14/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate?
10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate has a molecular weight of 278.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tetracyclo[8.2.1.18,11.02,7]tetradeca-2,4,6-trienyl methanesulfonate is sourced from PubChem (CID 156754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).