carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)

C33H51O3SiZr — CID 160670719

IUPACcarbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
SMILESC1=CC([CH-]C2C=CC=C2)C=C1.[CH3-].[H]/[C-]=C\C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr+3]
InChIInChI=1S/C21H37O3Si.C11H11.CH3.Zr/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20;1-2-6-10(5-1)9-11-7-3-4-8-11;;/h1,10,14,17-18H,11-13,15H2,2-9H3;1-11H;1H3;/q3*-1;+3
InChIKeyGVUDUMOWXPIMOI-UHFFFAOYSA-N
MW615.08 g/mol
LogP8.76
Rot. Bonds8

About carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)

carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) (PubChem CID 160670719) has the molecular formula C33H51O3SiZr and a molecular weight of 615.08 g/mol. Its IUPAC name is carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+).

Molecular Properties

Compound Namecarbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
PubChem CID160670719
Molecular FormulaC33H51O3SiZr
Molecular Weight615.08 g/mol
Exact Mass613.27
IUPAC Namecarbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
SMILESC1=CC([CH-]C2C=CC=C2)C=C1.[CH3-].[H]/[C-]=C\C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr+3]
InChIInChI=1S/C21H37O3Si.C11H11.CH3.Zr/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20;1-2-6-10(5-1)9-11-7-3-4-8-11;;/h1,10,14,17-18H,11-13,15H2,2-9H3;1-11H;1H3;/q3*-1;+3
InChIKeyGVUDUMOWXPIMOI-UHFFFAOYSA-N
XLogP8.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.08
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) with MolForge

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Related Compounds

ethyl (2Z,4E)-3-ethyl-5-(2,3,7,9,9-pentamethyl-8-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)penta-2,4-dienoate
CID 89052201
[(8-Ethynyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy](triethyl)silane
CID 89052382
Carbanide;bis(cyclopenta-1,3-diene);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium
CID 89052514
Ethyl 3-ethyl-5-(2,3,7,9,9-pentamethyl-8-triethylsilyloxy-1,4-dioxaspiro[4.5]dec-6-en-8-yl)penta-2,4-dienoate
CID 123586551
(8-Ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium
CID 154374789
Carbanide;bis(cyclopentane);(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)
CID 162292577
(8-Ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane
CID 89052515

Frequently Asked Questions

What is the IUPAC name of carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)?
The IUPAC name of carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) (CID 160670719) is carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+).
What is the SMILES notation for carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)?
The canonical SMILES for carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) is C1=CC([CH-]C2C=CC=C2)C=C1.[CH3-].[H]/[C-]=C\C1(O[Si](CC)(CC)CC)C(C)=CC2(CC1(C)C)OC(C)C(C)O2.[Zr+3].
What is the InChIKey of carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)?
The InChIKey is GVUDUMOWXPIMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37O3Si.C11H11.CH3.Zr/c1-10-21(24-25(11-2,12-3)13-4)16(5)14-20(15-19(21,8)9)22-17(6)18(7)23-20;1-2-6-10(5-1)9-11-7-3-4-8-11;;/h1,10,14,17-18H,11-13,15H2,2-9H3;1-11H;1H3;/q3*-1;+3.
What are the key properties of carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+)?
carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) has a molecular weight of 615.08 g/mol, XLogP of 8.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-(cyclopenta-2,4-dien-1-ylmethyl)cyclopenta-1,3-diene;(8-ethenyl-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl)oxy-triethylsilane;zirconium(3+) is sourced from PubChem (CID 160670719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).