cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)

C29H52Si3Zr+2 — CID 23231240

IUPACcyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)
SMILESCC1CC2c3ccccc3C=CC2C1[Si](C)(C)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Zr+4]
InChIInChI=1S/C21H30Si.2C4H11Si.Zr/c1-15-14-20-18-11-7-4-8-16(18)12-13-19(20)21(15)22(2,3)17-9-5-6-10-17;2*1-5(2,3)4;/h4,7-8,11-13,15,17,19-21H,5-6,9-10,14H2,1-3H3;2*1H2,2-4H3;/q;2*-1;+4
InChIKeyYINPKKGKPBAMGB-UHFFFAOYSA-N
MW576.22 g/mol
LogP9.87
Rot. Bonds2

About cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)

cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+) (PubChem CID 23231240) has the molecular formula C29H52Si3Zr+2 and a molecular weight of 576.22 g/mol. Its IUPAC name is cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+).

Molecular Properties

Compound Namecyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)
PubChem CID23231240
Molecular FormulaC29H52Si3Zr+2
Molecular Weight576.22 g/mol
Exact Mass574.24
IUPAC Namecyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)
SMILESCC1CC2c3ccccc3C=CC2C1[Si](C)(C)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Zr+4]
InChIInChI=1S/C21H30Si.2C4H11Si.Zr/c1-15-14-20-18-11-7-4-8-16(18)12-13-19(20)21(15)22(2,3)17-9-5-6-10-17;2*1-5(2,3)4;/h4,7-8,11-13,15,17,19-21H,5-6,9-10,14H2,1-3H3;2*1H2,2-4H3;/q;2*-1;+4
InChIKeyYINPKKGKPBAMGB-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.22
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[3-tert-butyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
CID 162279824
[3,5-ditert-butyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
CID 162286238
[3-tert-butyl-5-ethyl-2-[(2-methylpropan-2-yl)oxy]phenyl]-diethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane
CID 162286237
cyclohexyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 174657129
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
carbanide;dimethyl-bis(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane;methanidylbenzene;zirconium(4+)
CID 162298138
(5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinolin-8-yl)-(1H-inden-1-yl)-dimethylsilane
CID 91435067
carbanide;hafnium(4+);1,2,3,4,5-pentamethylcyclopentane;3-(2-phenylpropyl)-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 162282412
7,7a,8,9,10,11,12,12a-octahydrobenzo[a]heptalen-7-amine
CID 166892849
1-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 153422179
(2S)-2-(1H-inden-1-yl)cyclohexan-1-one
CID 90281446
1-cyclohexyl-1H-indene
CID 13380096

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)?
The IUPAC name of cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+) (CID 23231240) is cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+).
What is the SMILES notation for cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)?
The canonical SMILES for cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+) is CC1CC2c3ccccc3C=CC2C1[Si](C)(C)C1CCCC1.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Zr+4].
What is the InChIKey of cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)?
The InChIKey is YINPKKGKPBAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Si.2C4H11Si.Zr/c1-15-14-20-18-11-7-4-8-16(18)12-13-19(20)21(15)22(2,3)17-9-5-6-10-17;2*1-5(2,3)4;/h4,7-8,11-13,15,17,19-21H,5-6,9-10,14H2,1-3H3;2*1H2,2-4H3;/q;2*-1;+4.
What are the key properties of cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+)?
cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+) has a molecular weight of 576.22 g/mol, XLogP of 9.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dimethyl-(2-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalen-3-yl)silane;bis(methanidyl(trimethyl)silane);zirconium(4+) is sourced from PubChem (CID 23231240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).