(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one

C27H44O3Si — CID 90139134

IUPAC(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one
SMILESCOC1=C([Si](C)(C)C)C(=O)C23C(CC1(CC=C(C)C)[C@@]2(C)OC)C3(C)CCC=C(C)C
InChIInChI=1S/C27H44O3Si/c1-18(2)13-12-15-24(5)20-17-26(16-14-19(3)4)23(29-7)21(31(9,10)11)22(28)27(20,24)25(26,6)30-8/h13-14,20H,12,15-17H2,1-11H3/t20?,24?,25-,26?,27?/m1/s1
InChIKeyJTSFSIPLRSDGAW-WXFFCOBRSA-N
MW444.73 g/mol
LogP6.87
Rot. Bonds8

About (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one

(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one (PubChem CID 90139134) has the molecular formula C27H44O3Si and a molecular weight of 444.73 g/mol. Its IUPAC name is (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one.

Molecular Properties

Compound Name(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one
PubChem CID90139134
Molecular FormulaC27H44O3Si
Molecular Weight444.73 g/mol
Exact Mass444.31
IUPAC Name(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one
SMILESCOC1=C([Si](C)(C)C)C(=O)C23C(CC1(CC=C(C)C)[C@@]2(C)OC)C3(C)CCC=C(C)C
InChIInChI=1S/C27H44O3Si/c1-18(2)13-12-15-24(5)20-17-26(16-14-19(3)4)23(29-7)21(31(9,10)11)22(28)27(20,24)25(26,6)30-8/h13-14,20H,12,15-17H2,1-11H3/t20?,24?,25-,26?,27?/m1/s1
InChIKeyJTSFSIPLRSDGAW-WXFFCOBRSA-N
XLogP6.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.73
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-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

(1S,5R,7S,8S)-4-methoxy-7-(methoxymethoxy)-8-methyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-3-trimethylsilylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 71499430
(1S,5R,7S,8R)-3-chloro-4-methoxy-8-methyl-5,7-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
CID 135029754
(3S,7R,8S)-6,8-dimethoxy-2-methyl-7-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-5-en-4-one
CID 71109639
(1R,3R,7R,8S,10S)-4-methoxy-8,10-dimethyl-3-(3-methylbut-2-enyl)-10-(4-methylpent-3-enyl)-9-oxatricyclo[5.2.1.03,8]dec-4-ene
CID 90139121
4-methoxy-8-methyl-5,7-bis(3-methylbut-2-enyl)-1-(2-methylpropanoyl)-8-(4-methyl-4-triethylsilyloxypentyl)-3-trimethylsilylbicyclo[3.3.1]non-3-ene-2,9-dione
CID 78096257
(1R,4R,6R)-4,7,7-trimethyl-4-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
CID 174188241
7-hydroxy-6-methyl-1-(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
CID 123623973
(2S,3R,3aS)-3,3a,4,4-tetramethyl-3-(4-methylpent-3-enyl)-1,2,5,6-tetrahydroindene-2-carboxylic acid
CID 15409095
(1S,3S,6R,7S)-7-methoxy-5,5-dimethyl-3-(3-methylbut-2-enyl)-4-oxatricyclo[4.3.1.03,7]decan-2-one
CID 11832758
methyl (1S,5R,7R)-6-methyl-6-(4-methylpent-3-enyl)-2,10-dioxo-8,9-diphenyl-3-oxatricyclo[5.2.1.01,5]dec-8-ene-7-carboxylate
CID 11754477
(1R,3R,4R,5S,7R,8S)-8-hydroxy-4,7-dimethyl-1,5-bis(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione
CID 44575718
(1R,2R,4R,6S,7S)-2,7-dimethyl-7-(4-methylpent-3-enyl)-3-oxatricyclo[4.1.1.02,4]octan-5-one
CID 170988893

Frequently Asked Questions

What is the IUPAC name of (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one?
The IUPAC name of (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one (CID 90139134) is (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one.
What is the SMILES notation for (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one?
The canonical SMILES for (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one is COC1=C([Si](C)(C)C)C(=O)C23C(CC1(CC=C(C)C)[C@@]2(C)OC)C3(C)CCC=C(C)C.
What is the InChIKey of (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one?
The InChIKey is JTSFSIPLRSDGAW-WXFFCOBRSA-N. The full InChI is InChI=1S/C27H44O3Si/c1-18(2)13-12-15-24(5)20-17-26(16-14-19(3)4)23(29-7)21(31(9,10)11)22(28)27(20,24)25(26,6)30-8/h13-14,20H,12,15-17H2,1-11H3/t20?,24?,25-,26?,27?/m1/s1.
What are the key properties of (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one?
(9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one has a molecular weight of 444.73 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-6,9-dimethoxy-2,9-dimethyl-5-(3-methylbut-2-enyl)-2-(4-methylpent-3-enyl)-7-trimethylsilyltricyclo[3.3.1.01,3]non-6-en-8-one is sourced from PubChem (CID 90139134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).