dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane

C20H26O2Si — CID 90893345

IUPACdimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
SMILESCO[Si](OC)(c1ccccc1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H26O2Si/c1-21-23(22-2,16-6-4-3-5-7-16)18-12-15-11-17(18)20-14-9-8-13(10-14)19(15)20/h3-9,13-15,17-20H,10-12H2,1-2H3
InChIKeyGBVOUAWDOJCQTG-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.48
Rot. Bonds4

About dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane

dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane (PubChem CID 90893345) has the molecular formula C20H26O2Si and a molecular weight of 326.51 g/mol. Its IUPAC name is dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane.

Molecular Properties

Compound Namedimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
PubChem CID90893345
Molecular FormulaC20H26O2Si
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Namedimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
SMILESCO[Si](OC)(c1ccccc1)C1CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C20H26O2Si/c1-21-23(22-2,16-6-4-3-5-7-16)18-12-15-11-17(18)20-14-9-8-13(10-14)19(15)20/h3-9,13-15,17-20H,10-12H2,1-2H3
InChIKeyGBVOUAWDOJCQTG-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dimethyl-methylsilyloxy-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane
CID 123468361
methyl (1R,3R,6R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 11183564
cyclohexyl-dimethoxy-phenylsilane
CID 54389963
9-(2,4,6-trimethylphenyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139698198
9-naphthalen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 139978466
2-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enylmethyl)phenol
CID 146533969
tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-thiol
CID 88871327
(1S,2S,3R,6R,7S,8S,9S)-9-chlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 98505466
9-methyl-9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-phenyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 162121013
[(1R,2R,3S,4R,6R,7S,8R)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl] acetate
CID 124895627
(1R,2R,3S,4R,6S,7R,8S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 177458663
9-anthracen-1-yloxytetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172821425

Frequently Asked Questions

What is the IUPAC name of dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The IUPAC name of dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane (CID 90893345) is dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane.
What is the SMILES notation for dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The canonical SMILES for dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane is CO[Si](OC)(c1ccccc1)C1CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
The InChIKey is GBVOUAWDOJCQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2Si/c1-21-23(22-2,16-6-4-3-5-7-16)18-12-15-11-17(18)20-14-9-8-13(10-14)19(15)20/h3-9,13-15,17-20H,10-12H2,1-2H3.
What are the key properties of dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane?
dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane has a molecular weight of 326.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-phenyl-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)silane is sourced from PubChem (CID 90893345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).