[(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

C27H44OSi — CID 134959746

IUPAC[(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
SMILESCC(C)[Si](O[C@H]1c2ccc(C(C)(C)C)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C27H44OSi/c1-16(2)29(17(3)4,18(5)6)28-26-22-13-12-21(27(7,8)9)15-23(22)24-19-10-11-20(14-19)25(24)26/h12-13,15-20,24-26H,10-11,14H2,1-9H3/t19-,20?,24?,25+,26-/m0/s1
InChIKeyJIVVORFCNSIKKF-CELHCSMOSA-N
MW412.73 g/mol
LogP8.36
Rot. Bonds5

About [(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

[(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 (PubChem CID 134959746) has the molecular formula C27H44OSi and a molecular weight of 412.73 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID134959746
Molecular FormulaC27H44OSi
Molecular Weight412.73 g/mol
Exact Mass412.32
IUPAC Name[(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
SMILESCC(C)[Si](O[C@H]1c2ccc(C(C)(C)C)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C
InChIInChI=1S/C27H44OSi/c1-16(2)29(17(3)4,18(5)6)28-26-22-13-12-21(27(7,8)9)15-23(22)24-19-10-11-20(14-19)25(24)26/h12-13,15-20,24-26H,10-11,14H2,1-9H3/t19-,20?,24?,25+,26-/m0/s1
InChIKeyJIVVORFCNSIKKF-CELHCSMOSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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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
spiro[3,6,7,8-tetrahydro-1H-as-indacene-2,2'-indane]-1-ol
CID 385661
(6-Fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)oxy-tri(propan-2-yl)silane
CID 122226622
[(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
tert-butyl-diphenyl-[[(1S,9R,10R)-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-trienyl]oxy]silane
CID 134959748
[(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
[(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
[(1S,2R,9S,10S,11R)-5-fluoro-9-tetracyclo[9.2.1.02,10.03,8]tetradeca-3(8),4,6-trienyl]oxy-tri(propan-2-yl)silane
CID 53391773

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)[Si](O[C@H]1c2ccc(C(C)(C)C)cc2C2[C@H]3CCC(C3)[C@H]21)(C(C)C)C(C)C.
What is the InChIKey of [(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?
The InChIKey is JIVVORFCNSIKKF-CELHCSMOSA-N. The full InChI is InChI=1S/C27H44OSi/c1-16(2)29(17(3)4,18(5)6)28-26-22-13-12-21(27(7,8)9)15-23(22)24-19-10-11-20(14-19)25(24)26/h12-13,15-20,24-26H,10-11,14H2,1-9H3/t19-,20?,24?,25+,26-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 412.73 g/mol, XLogP of 8.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 134959746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).