trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane

C26H32Si2 — CID 139054939

IUPACtrimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane
SMILESC[Si](C)(C)C1=C2CCC3=C([Si](C)(C)C)c4ccccc4[C@@H]3[C@H]2c2ccccc21
InChIInChI=1S/C26H32Si2/c1-27(2,3)25-19-13-9-7-11-17(19)23-21(25)15-16-22-24(23)18-12-8-10-14-20(18)26(22)28(4,5)6/h7-14,23-24H,15-16H2,1-6H3/t23-,24-/m0/s1
InChIKeyCMTPECZOOFPPPB-ZEQRLZLVSA-N
MW400.71 g/mol
LogP7.64
Rot. Bonds2

About trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane

trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane (PubChem CID 139054939) has the molecular formula C26H32Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane
PubChem CID139054939
Molecular FormulaC26H32Si2
Molecular Weight400.71 g/mol
Exact Mass400.20
IUPAC Nametrimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane
SMILESC[Si](C)(C)C1=C2CCC3=C([Si](C)(C)C)c4ccccc4[C@@H]3[C@H]2c2ccccc21
InChIInChI=1S/C26H32Si2/c1-27(2,3)25-19-13-9-7-11-17(19)23-21(25)15-16-22-24(23)18-12-8-10-14-20(18)26(22)28(4,5)6/h7-14,23-24H,15-16H2,1-6H3/t23-,24-/m0/s1
InChIKeyCMTPECZOOFPPPB-ZEQRLZLVSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane with MolForge

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Related Compounds

[dimethyl-(3-trimethylsilyl-1H-inden-1-yl)silyl]-dimethyl-(3-trimethylsilyl-1H-inden-1-yl)silane
CID 100983120
9,10-dihydrophenanthrene;ethane
CID 143759681
3-(9H-fluoren-9-yl)oxolane
CID 102547285
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
(6,9-dimethyl-5-trimethylsilyloxy-7,8-dihydrobenzo[8]annulen-10-yl)oxy-trimethylsilane
CID 57374260
1-methyl-9-(1-methyl-9H-fluoren-9-yl)-9H-fluorene
CID 13306900
trimethyl-[(3S)-3-[2-[(1S)-3-trimethylsilyl-1H-inden-1-yl]propan-2-yl]-3H-inden-1-yl]silane
CID 101175516
(3-tert-butyl-3H-inden-1-yl)-trimethylsilane
CID 101354985
trimethyl-[3-[2-(3-trimethylsilyl-1H-inden-1-yl)propan-2-yl]-3H-inden-1-yl]silane
CID 18670031
8-methyl-12-oxa-9,10-diazatricyclo[9.1.1.02,7]trideca-2,4,6,8-tetraene
CID 163631971
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane?
The IUPAC name of trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane (CID 139054939) is trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane.
What is the SMILES notation for trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane?
The canonical SMILES for trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane is C[Si](C)(C)C1=C2CCC3=C([Si](C)(C)C)c4ccccc4[C@@H]3[C@H]2c2ccccc21.
What is the InChIKey of trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane?
The InChIKey is CMTPECZOOFPPPB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H32Si2/c1-27(2,3)25-19-13-9-7-11-17(19)23-21(25)15-16-22-24(23)18-12-8-10-14-20(18)26(22)28(4,5)6/h7-14,23-24H,15-16H2,1-6H3/t23-,24-/m0/s1.
What are the key properties of trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane?
trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane has a molecular weight of 400.71 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2S)-14-trimethylsilyl-9-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,9,13,15,17,19-octaenyl]silane is sourced from PubChem (CID 139054939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).