[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane

C18H34OSi — CID 10685252

IUPAC[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
SMILESC/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@@]2(O[Si](C)(C)C)C1
InChIInChI=1S/C18H34OSi/c1-14-8-10-17(3,4)13-16-15(2)9-11-18(16,12-14)19-20(5,6)7/h8,15-16H,9-13H2,1-7H3/b14-8-/t15-,16+,18-/m1/s1
InChIKeyGYEQQCLHQGVHPA-GQGHAXDJSA-N
MW294.56 g/mol
LogP5.78
Rot. Bonds2

About [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane

[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane (PubChem CID 10685252) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
PubChem CID10685252
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
SMILESC/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@@]2(O[Si](C)(C)C)C1
InChIInChI=1S/C18H34OSi/c1-14-8-10-17(3,4)13-16-15(2)9-11-18(16,12-14)19-20(5,6)7/h8,15-16H,9-13H2,1-7H3/b14-8-/t15-,16+,18-/m1/s1
InChIKeyGYEQQCLHQGVHPA-GQGHAXDJSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.78
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

[(1S,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
CID 10734653
[(1R,2R,3S)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-[2-(trimethylsilylmethyl)prop-2-enyl]cyclopentyl]oxy-trimethylsilane
CID 49818552
[(1S,3aR,5E,9aR)-1,8,8-trimethyl-3a-trimethylsilyloxy-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-5-yl]methyl-trimethylsilane
CID 49818553
Tert-butyl-[[7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
CID 134972664
[(3R,3aR,8aS)-3-ethenyl-5,5-dimethyl-1,2,3,4,6,8a-hexahydroazulen-3a-yl]oxy-tert-butyl-dimethylsilane
CID 134972665
[(1S,2S,3S)-2-ethenyl-1-methyl-3-prop-1-en-2-ylcyclopentyl]oxy-tri(propan-2-yl)silane
CID 135020044
trimethyl-[[(1R,6S,7R)-6,7,9,9-tetramethyl-7-prop-2-enyl-2-bicyclo[4.2.1]non-2-enyl]oxy]silane
CID 10447896
[(1R,3aS,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane
CID 10756251
[(1R,2S,3R)-2-(2,2-dimethylpent-4-enyl)-3-methyl-1-(2-methylprop-2-enyl)cyclopentyl]oxy-trimethylsilane
CID 10805819
(1R,2S,3R)-1-methyl-3-(6-methylhepta-1,5-dien-2-yl)-2-(trimethylsilylmethyl)cyclopentan-1-ol
CID 10913421
Tert-butyl-[(8,10-dimethyl-10-tricyclo[6.2.1.03,9]undec-2-enyl)oxy]-dimethylsilane
CID 101385539
tert-butyl-[[(1R,4R)-7-(2,2-dimethylpent-4-enyl)-7-bicyclo[2.2.1]hept-2-enyl]oxy]-dimethylsilane
CID 101731594

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane (CID 10685252) is [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane is C/C1=C/CC(C)(C)C[C@H]2[C@H](C)CC[C@@]2(O[Si](C)(C)C)C1.
What is the InChIKey of [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane?
The InChIKey is GYEQQCLHQGVHPA-GQGHAXDJSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14-8-10-17(3,4)13-16-15(2)9-11-18(16,12-14)19-20(5,6)7/h8,15-16H,9-13H2,1-7H3/b14-8-/t15-,16+,18-/m1/s1.
What are the key properties of [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane?
[(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,5Z,9aS)-1,5,8,8-tetramethyl-2,3,4,7,9,9a-hexahydro-1H-cyclopenta[8]annulen-3a-yl]oxy-trimethylsilane is sourced from PubChem (CID 10685252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).