[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane

C21H38OSi — CID 162406166

IUPAC[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@@H]2CCCCCC[C@@H]21
InChIInChI=1S/C21H38OSi/c1-8-16-18-14-12-10-11-13-15-19(18)17(9-2)20(16)22-23(6,7)21(3,4)5/h8-9,16-20H,1-2,10-15H2,3-7H3/t16-,17+,18+,19-,20?
InChIKeyYYNJQERHKUTBEH-SYBFEITBSA-N
MW334.62 g/mol
LogP6.58
Rot. Bonds4

About [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane

[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 162406166) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID162406166
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Name[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@@H]2CCCCCC[C@@H]21
InChIInChI=1S/C21H38OSi/c1-8-16-18-14-12-10-11-13-15-19(18)17(9-2)20(16)22-23(6,7)21(3,4)5/h8-9,16-20H,1-2,10-15H2,3-7H3/t16-,17+,18+,19-,20?
InChIKeyYYNJQERHKUTBEH-SYBFEITBSA-N
XLogP6.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.58
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 [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

[(1R,3S,3aS,8aR)-1,3-bis(ethenyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-yl]oxy-tert-butyl-dimethylsilane
CID 101409487
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
[(1S,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020085
[(1R,2R,5R)-2-methyl-5-prop-1-en-2-yl-2-prop-2-enylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020086
CID 178270073
CID 178270073
[(1R,2R,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918222
[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918223
[(1S,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918229
[(1R,2R,3S,4S)-3-[(Z)-hept-2-enyl]-4-methyl-2-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918234
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
CID 59678391
(1S,2R,4R)-3-[8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctyl]-4-methyl-2-prop-2-enylcyclopentan-1-ol
CID 68010305
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-[(1S,2S,3S,5R)-3,5-dimethyl-2-prop-2-enylcyclopentyl]octan-3-yl]oxy-dimethylsilane
CID 68010316

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane (CID 162406166) is [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@H]1C(O[Si](C)(C)C(C)(C)C)[C@H](C=C)[C@@H]2CCCCCC[C@@H]21.
What is the InChIKey of [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YYNJQERHKUTBEH-SYBFEITBSA-N. The full InChI is InChI=1S/C21H38OSi/c1-8-16-18-14-12-10-11-13-15-19(18)17(9-2)20(16)22-23(6,7)21(3,4)5/h8-9,16-20H,1-2,10-15H2,3-7H3/t16-,17+,18+,19-,20?.
What are the key properties of [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 334.62 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,3aR,9aS)-1,3-bis(ethenyl)-2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cyclopenta[8]annulen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 162406166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).