[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane

C24H38OSi — CID 134959841

IUPAC[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
SMILESCc1ccc2c(c1)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C3CC[C@@H](C3)C21
InChIInChI=1S/C24H38OSi/c1-14(2)26(15(3)4,16(5)6)25-24-21-12-17(7)8-11-20(21)22-18-9-10-19(13-18)23(22)24/h8,11-12,14-16,18-19,22-24H,9-10,13H2,1-7H3/t18-,19?,22?,23+,24-/m0/s1
InChIKeyGWTJHODJYOMFCX-BGIJNCSWSA-N
MW370.65 g/mol
LogP7.37
Rot. Bonds5

About [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane

[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane (PubChem CID 134959841) has the molecular formula C24H38OSi and a molecular weight of 370.65 g/mol. Its IUPAC name is [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
PubChem CID134959841
Molecular FormulaC24H38OSi
Molecular Weight370.65 g/mol
Exact Mass370.27
IUPAC Name[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
SMILESCc1ccc2c(c1)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C3CC[C@@H](C3)C21
InChIInChI=1S/C24H38OSi/c1-14(2)26(15(3)4,16(5)6)25-24-21-12-17(7)8-11-20(21)22-18-9-10-19(13-18)23(22)24/h8,11-12,14-16,18-19,22-24H,9-10,13H2,1-7H3/t18-,19?,22?,23+,24-/m0/s1
InChIKeyGWTJHODJYOMFCX-BGIJNCSWSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(1S,9R,10R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959747
tri(propan-2-yl)-[[(1S,9R,10R)-5-(trifluoromethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy]silane
CID 134959844
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
tert-butyl-[[(1S)-4-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 144390334
[(4aS,9S,9aR)-1,1,4a-trimethyl-7-propan-2-yl-3,4,9,9a-tetrahydro-2H-fluoren-9-yl]oxy-tert-butyl-dimethylsilane
CID 134833685
[(4aR,9R,9aR)-9a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,4a,9-tetrahydrofluoren-9-yl]oxy-tert-butyl-dimethylsilane
CID 134864612
tri(propan-2-yl)-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959745
[(1S,9R,10R)-5-tert-butyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 134959746
tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959748
[(9R,10R,12R,13R)-12,13-bis(methoxymethyl)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy-tri(propan-2-yl)silane
CID 134959842
tert-butyl-dimethyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959843
Benzyl-[10-[tert-butyl(dimethyl)silyl]oxy-1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-yl]-dimethylsilane
CID 135067079

Frequently Asked Questions

What is the IUPAC name of [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane (CID 134959841) is [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane is Cc1ccc2c(c1)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C3CC[C@@H](C3)C21.
What is the InChIKey of [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane?
The InChIKey is GWTJHODJYOMFCX-BGIJNCSWSA-N. The full InChI is InChI=1S/C24H38OSi/c1-14(2)26(15(3)4,16(5)6)25-24-21-12-17(7)8-11-20(21)22-18-9-10-19(13-18)23(22)24/h8,11-12,14-16,18-19,22-24H,9-10,13H2,1-7H3/t18-,19?,22?,23+,24-/m0/s1.
What are the key properties of [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane?
[(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane has a molecular weight of 370.65 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9R,10R)-6-methyl-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134959841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).