(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol

C22H36O3Si — CID 11574373

IUPAC(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
SMILESCO/C=C/[C@@]12C(C)=CC[C@]1(O)[C@]1(C)C=C[C@]1(C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si/c1-16-10-11-22(23)20(6)13-12-19(20,5)17(21(16,22)14-15-24-7)25-26(8,9)18(2,3)4/h10,12-15,17,23H,11H2,1-9H3/b15-14+/t17-,19+,20+,21-,22-/m0/s1
InChIKeyRDMIDZNMTCNKJH-WDQNMCSSSA-N
MW376.61 g/mol
LogP5.20
Rot. Bonds4

About (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol

(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol (PubChem CID 11574373) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol.

Molecular Properties

Compound Name(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
PubChem CID11574373
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Name(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
SMILESCO/C=C/[C@@]12C(C)=CC[C@]1(O)[C@]1(C)C=C[C@]1(C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si/c1-16-10-11-22(23)20(6)13-12-19(20,5)17(21(16,22)14-15-24-7)25-26(8,9)18(2,3)4/h10,12-15,17,23H,11H2,1-9H3/b15-14+/t17-,19+,20+,21-,22-/m0/s1
InChIKeyRDMIDZNMTCNKJH-WDQNMCSSSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol 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

4,10,11,11-Tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 70986543
(2R,4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 10871828
(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(hydroxymethyl)-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
CID 11695996
(1'R,2R,3'R,4S,6aS)-3'-[tert-butyl(dimethyl)silyl]oxy-1'-ethenylspiro[2,5,6,6a-tetrahydro-1H-pentalene-4,2'-cyclopentane]-1',2-diol
CID 11845016
(1'R,2S,3'R,4S,6aR)-3'-[tert-butyl(dimethyl)silyl]oxy-1'-ethenylspiro[2,5,6,6a-tetrahydro-1H-pentalene-4,2'-cyclopentane]-1',2-diol
CID 11845172
(1S,6S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethylbicyclo[4.2.1]non-2-en-9-ol
CID 101179406
(1S,2R,5S,6S,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5-dimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol
CID 101397283
(4R,5S,7S)-4,10,11,11-tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 146031503

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The IUPAC name of (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol (CID 11574373) is (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol.
What is the SMILES notation for (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The canonical SMILES for (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol is CO/C=C/[C@@]12C(C)=CC[C@]1(O)[C@]1(C)C=C[C@]1(C)[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
The InChIKey is RDMIDZNMTCNKJH-WDQNMCSSSA-N. The full InChI is InChI=1S/C22H36O3Si/c1-16-10-11-22(23)20(6)13-12-19(20,5)17(21(16,22)14-15-24-7)25-26(8,9)18(2,3)4/h10,12-15,17,23H,11H2,1-9H3/b15-14+/t17-,19+,20+,21-,22-/m0/s1.
What are the key properties of (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol?
(1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol has a molecular weight of 376.61 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-7-[(E)-2-methoxyethenyl]-2,5,8-trimethyltricyclo[5.3.0.02,5]deca-3,8-dien-1-ol is sourced from PubChem (CID 11574373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).