[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane

C18H32OSi — CID 10989996

IUPAC[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@@H]3[C@@H](CC[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C18H32OSi/c1-12-7-9-14-15(12)11-13-8-10-16(17(13)14)19-20(5,6)18(2,3)4/h13-17H,1,7-11H2,2-6H3/t13-,14+,15-,16+,17-/m0/s1
InChIKeyMVODYIRSHJPAMT-NNXHMXCWSA-N
MW292.54 g/mol
LogP5.39
Rot. Bonds2

About [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane

[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10989996) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10989996
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@@H]3[C@@H](CC[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@H]12
InChIInChI=1S/C18H32OSi/c1-12-7-9-14-15(12)11-13-8-10-16(17(13)14)19-20(5,6)18(2,3)4/h13-17H,1,7-11H2,2-6H3/t13-,14+,15-,16+,17-/m0/s1
InChIKeyMVODYIRSHJPAMT-NNXHMXCWSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.39
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 [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

2-[(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-yl]ethanol
CID 134974093
tert-butyl-[[(1R,5R,6S,8R,9R)-5,8-dimethyl-4-methylidene-9-propan-2-yl-6-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
CID 10338712
[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
CID 10868799
tert-butyl-dimethyl-[[(1R,4S,5R,8S)-5-methyl-4-tricyclo[6.3.0.01,5]undec-9-enyl]oxy]silane
CID 11119908
tert-butyl-[[(1R,3R,5S,8S)-5,8-dimethyl-6-methylidene-3-tricyclo[6.3.0.01,5]undecanyl]oxy]-dimethylsilane
CID 23649491

Frequently Asked Questions

What is the IUPAC name of [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane (CID 10989996) is [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2[C@@H]3[C@@H](CC[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@H]12.
What is the InChIKey of [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MVODYIRSHJPAMT-NNXHMXCWSA-N. The full InChI is InChI=1S/C18H32OSi/c1-12-7-9-14-15(12)11-13-8-10-16(17(13)14)19-20(5,6)18(2,3)4/h13-17H,1,7-11H2,2-6H3/t13-,14+,15-,16+,17-/m0/s1.
What are the key properties of [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane?
[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10989996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).