[(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

C23H35FOSi — CID 53391773

IUPAC[(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
SMILESCC(C)[Si](O[C@@H]1c2ccc(F)cc2[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21)(C(C)C)C(C)C
InChIInChI=1S/C23H35FOSi/c1-13(2)26(14(3)4,15(5)6)25-23-19-10-9-18(24)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17+,21-,22-,23+/m0/s1
InChIKeyMONZWOQRGODYOM-OECWEMKESA-N
MW374.62 g/mol
LogP7.20
Rot. Bonds5

About [(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

[(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 (PubChem CID 53391773) has the molecular formula C23H35FOSi and a molecular weight of 374.62 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID53391773
Molecular FormulaC23H35FOSi
Molecular Weight374.62 g/mol
Exact Mass374.24
IUPAC Name[(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
SMILESCC(C)[Si](O[C@@H]1c2ccc(F)cc2[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21)(C(C)C)C(C)C
InChIInChI=1S/C23H35FOSi/c1-13(2)26(14(3)4,15(5)6)25-23-19-10-9-18(24)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17+,21-,22-,23+/m0/s1
InChIKeyMONZWOQRGODYOM-OECWEMKESA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.62
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(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 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
tert-butyl-dimethyl-[[(1S,2S)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]silane
CID 162537325
(6-Fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)oxy-tri(propan-2-yl)silane
CID 122226622
tert-butyl-[[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 141379842
tert-butyl-[[(1S)-4-(fluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 144390334
tert-butyl-dimethyl-[[(1S)-2,2,4-trifluoro-7-methyl-1,3-dihydroinden-1-yl]oxy]silane
CID 157619845
[(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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)[Si](O[C@@H]1c2ccc(F)cc2[C@@H]2[C@H]3CC[C@H](C3)[C@@H]21)(C(C)C)C(C)C.
What is the InChIKey of [(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?
The InChIKey is MONZWOQRGODYOM-OECWEMKESA-N. The full InChI is InChI=1S/C23H35FOSi/c1-13(2)26(14(3)4,15(5)6)25-23-19-10-9-18(24)12-20(19)21-16-7-8-17(11-16)22(21)23/h9-10,12-17,21-23H,7-8,11H2,1-6H3/t16-,17+,21-,22-,23+/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 374.62 g/mol, XLogP of 7.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 53391773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).