[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane

C26H48OSi — CID 10883989

IUPAC[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48OSi/c1-19-12-13-22-25(7,20(19)18-27-28(9,10)23(2,3)4)17-14-21-24(5,6)15-11-16-26(21,22)8/h20-22H,1,11-18H2,2-10H3/t20-,21+,22+,25+,26+/m1/s1
InChIKeyHFIFUTZUSBIJKY-DGTHGUPJSA-N
MW404.76 g/mol
LogP8.22
Rot. Bonds3

About [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane

[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10883989) has the molecular formula C26H48OSi and a molecular weight of 404.76 g/mol. Its IUPAC name is [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10883989
Molecular FormulaC26H48OSi
Molecular Weight404.76 g/mol
Exact Mass404.35
IUPAC Name[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H48OSi/c1-19-12-13-22-25(7,20(19)18-27-28(9,10)23(2,3)4)17-14-21-24(5,6)15-11-16-26(21,22)8/h20-22H,1,11-18H2,2-10H3/t20-,21+,22+,25+,26+/m1/s1
InChIKeyHFIFUTZUSBIJKY-DGTHGUPJSA-N
XLogP8.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.76
LogP ≤ 58.22
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'}

Analyze [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane 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

beta-Eudesmol, TMS derivative
CID 91714393
[(1R,2R,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 25053671
[(1R,2R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-1-bicyclo[2.2.2]octanyl]methanol
CID 25053672
[1-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]methanol
CID 74421798
Tert-butyl-[[2-(2-methoxyethenyl)-5-methylidene-1-bicyclo[2.2.2]octanyl]methoxy]-dimethylsilane
CID 134941572
ent-Kaurenol TMS
CID 91749485
[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11359646
[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 11427684
CID 145780070
CID 145780070
CID 145780074
CID 145780074
[(4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-trimethylsilane
CID 172231776
[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy-trimethylsilane
CID 172231780

Frequently Asked Questions

What is the IUPAC name of [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane (CID 10883989) is [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is HFIFUTZUSBIJKY-DGTHGUPJSA-N. The full InChI is InChI=1S/C26H48OSi/c1-19-12-13-22-25(7,20(19)18-27-28(9,10)23(2,3)4)17-14-21-24(5,6)15-11-16-26(21,22)8/h20-22H,1,11-18H2,2-10H3/t20-,21+,22+,25+,26+/m1/s1.
What are the key properties of [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 404.76 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10883989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).