[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane

C17H32OSi — CID 15519993

IUPAC[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane
SMILESC=C1CCCC(O[Si](C)(C)C)[C@@H]2CC(C)(C)C[C@@H]2C1
InChIInChI=1S/C17H32OSi/c1-13-8-7-9-16(18-19(4,5)6)15-12-17(2,3)11-14(15)10-13/h14-16H,1,7-12H2,2-6H3/t14-,15+,16?/m0/s1
InChIKeyJDXQXJFFUUOFBF-QMRHZFGWSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds2

About [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane

[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane (PubChem CID 15519993) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane
PubChem CID15519993
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane
SMILESC=C1CCCC(O[Si](C)(C)C)[C@@H]2CC(C)(C)C[C@@H]2C1
InChIInChI=1S/C17H32OSi/c1-13-8-7-9-16(18-19(4,5)6)15-12-17(2,3)11-14(15)10-13/h14-16H,1,7-12H2,2-6H3/t14-,15+,16?/m0/s1
InChIKeyJDXQXJFFUUOFBF-QMRHZFGWSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
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'}

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Related Compounds

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[(1R)-1-but-3-enyl-5,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015332
[(1R)-1-but-3-enyl-5,5-dimethyl-1,2,3,3a,4,6-hexahydropentalen-6a-id-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135015486
[(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
tert-butyl-dimethyl-[[(1R,2R,6S)-6,9,9-trimethyl-8-methylidene-2-bicyclo[4.2.1]nonanyl]oxy]silane
CID 10335466
tert-butyl-dimethyl-[[(1R)-1,2,3-trimethyl-4-methylidenecyclopentyl]methoxy]silane
CID 54360617
tert-butyl-dimethyl-[[(1S,5S)-2,2,3,3,5-pentamethyl-4-methylidenecyclopentyl]methoxy]silane
CID 59483150
tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane
CID 59678391
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
tert-butyl-dimethyl-[[(1R,2R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]nonanyl]oxy]silane
CID 10450559

Frequently Asked Questions

What is the IUPAC name of [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane?
The IUPAC name of [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane (CID 15519993) is [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane?
The canonical SMILES for [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane is C=C1CCCC(O[Si](C)(C)C)[C@@H]2CC(C)(C)C[C@@H]2C1.
What is the InChIKey of [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane?
The InChIKey is JDXQXJFFUUOFBF-QMRHZFGWSA-N. The full InChI is InChI=1S/C17H32OSi/c1-13-8-7-9-16(18-19(4,5)6)15-12-17(2,3)11-14(15)10-13/h14-16H,1,7-12H2,2-6H3/t14-,15+,16?/m0/s1.
What are the key properties of [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane?
[(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane has a molecular weight of 280.53 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 [(3aR,9aR)-2,2-dimethyl-5-methylidene-3,3a,4,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl]oxy-trimethylsilane is sourced from PubChem (CID 15519993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).