(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one

C16H22O2Si — CID 102357618

IUPAC(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one
SMILESCOc1ccc2c(c1)[C@]1(C)CC(=O)CCC[Si]2(C)C1
InChIInChI=1S/C16H22O2Si/c1-16-10-12(17)5-4-8-19(3,11-16)15-7-6-13(18-2)9-14(15)16/h6-7,9H,4-5,8,10-11H2,1-3H3/t16-,19?/m1/s1
InChIKeyRGGWPCZQRZEICN-VTBWFHPJSA-N
MW274.44 g/mol
LogP3.01
Rot. Bonds1

About (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one

(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one (PubChem CID 102357618) has the molecular formula C16H22O2Si and a molecular weight of 274.44 g/mol. Its IUPAC name is (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one.

Molecular Properties

Compound Name(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one
PubChem CID102357618
Molecular FormulaC16H22O2Si
Molecular Weight274.44 g/mol
Exact Mass274.14
IUPAC Name(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one
SMILESCOc1ccc2c(c1)[C@]1(C)CC(=O)CCC[Si]2(C)C1
InChIInChI=1S/C16H22O2Si/c1-16-10-12(17)5-4-8-19(3,11-16)15-7-6-13(18-2)9-14(15)16/h6-7,9H,4-5,8,10-11H2,1-3H3/t16-,19?/m1/s1
InChIKeyRGGWPCZQRZEICN-VTBWFHPJSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one 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

8-methoxy-1,1-dimethyl-2,3,4,6-tetrahydro-1-benzosilocin-5-one
CID 134962237
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
3-(4-methoxy-2,5-dimethylphenyl)-3-methylcyclopentan-1-one
CID 116538548
3-[(2-bromo-5-methoxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 116538441
2-(2,5-dimethoxyphenyl)-2-methyl-4-oxoazetidine-1-sulfonyl chloride
CID 64667055
3-methoxy-7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 13096425
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
(3R)-3-hydroxy-3-(4-methoxyphenyl)cyclohexan-1-one
CID 102232708
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-one
CID 67359240
3-(2,5-dimethoxyphenyl)-3,5,5-trimethylpiperidine
CID 82303319
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571

Frequently Asked Questions

What is the IUPAC name of (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one?
The IUPAC name of (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one (CID 102357618) is (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one.
What is the SMILES notation for (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one?
The canonical SMILES for (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one is COc1ccc2c(c1)[C@]1(C)CC(=O)CCC[Si]2(C)C1.
What is the InChIKey of (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one?
The InChIKey is RGGWPCZQRZEICN-VTBWFHPJSA-N. The full InChI is InChI=1S/C16H22O2Si/c1-16-10-12(17)5-4-8-19(3,11-16)15-7-6-13(18-2)9-14(15)16/h6-7,9H,4-5,8,10-11H2,1-3H3/t16-,19?/m1/s1.
What are the key properties of (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one?
(8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one has a molecular weight of 274.44 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-5-methoxy-1,8-dimethyl-1-silatricyclo[6.5.1.02,7]tetradeca-2(7),3,5-trien-10-one is sourced from PubChem (CID 102357618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).