3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one

C16H18OSi — CID 15892631

IUPAC3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one
SMILESC[Si]1(C)c2ccccc2C(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C16H18OSi/c1-18(2)13-6-4-3-5-12(13)15(17)14-10-7-8-11(9-10)16(14)18/h3-8,10-11,14,16H,9H2,1-2H3
InChIKeyTXEOWUWJLQAAPT-UHFFFAOYSA-N
MW254.41 g/mol
LogP2.99
Rot. Bonds

About 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one

3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one (PubChem CID 15892631) has the molecular formula C16H18OSi and a molecular weight of 254.41 g/mol. Its IUPAC name is 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one.

Molecular Properties

Compound Name3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one
PubChem CID15892631
Molecular FormulaC16H18OSi
Molecular Weight254.41 g/mol
Exact Mass254.11
IUPAC Name3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one
SMILESC[Si]1(C)c2ccccc2C(=O)C2C3C=CC(C3)C21
InChIInChI=1S/C16H18OSi/c1-18(2)13-6-4-3-5-12(13)15(17)14-10-7-8-11(9-10)16(14)18/h3-8,10-11,14,16H,9H2,1-2H3
InChIKeyTXEOWUWJLQAAPT-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one?
The IUPAC name of 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one (CID 15892631) is 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one.
What is the SMILES notation for 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one?
The canonical SMILES for 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one is C[Si]1(C)c2ccccc2C(=O)C2C3C=CC(C3)C21.
What is the InChIKey of 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one?
The InChIKey is TXEOWUWJLQAAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OSi/c1-18(2)13-6-4-3-5-12(13)15(17)14-10-7-8-11(9-10)16(14)18/h3-8,10-11,14,16H,9H2,1-2H3.
What are the key properties of 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one?
3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one has a molecular weight of 254.41 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-3-silatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraen-10-one is sourced from PubChem (CID 15892631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).