dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane

C13H26Cl2NOSiZr+ — CID 23232816

IUPACdichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane
SMILESCC1CO[Si](C)(C2C(C)C(C)C(C)C2C)[N-]1.Cl[Zr+2]Cl
InChIInChI=1S/C13H26NOSi.2ClH.Zr/c1-8-7-15-16(6,14-8)13-11(4)9(2)10(3)12(13)5;;;/h8-13H,7H2,1-6H3;2*1H;/q-1;;;+4/p-2
InChIKeyAMVIQRNXWBLYJT-UHFFFAOYSA-L
MW402.57 g/mol
LogP5.16
Rot. Bonds1

About dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane

dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane (PubChem CID 23232816) has the molecular formula C13H26Cl2NOSiZr+ and a molecular weight of 402.57 g/mol. Its IUPAC name is dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane.

Molecular Properties

Compound Namedichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane
PubChem CID23232816
Molecular FormulaC13H26Cl2NOSiZr+
Molecular Weight402.57 g/mol
Exact Mass400.02
IUPAC Namedichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane
SMILESCC1CO[Si](C)(C2C(C)C(C)C(C)C2C)[N-]1.Cl[Zr+2]Cl
InChIInChI=1S/C13H26NOSi.2ClH.Zr/c1-8-7-15-16(6,14-8)13-11(4)9(2)10(3)12(13)5;;;/h8-13H,7H2,1-6H3;2*1H;/q-1;;;+4/p-2
InChIKeyAMVIQRNXWBLYJT-UHFFFAOYSA-L
XLogP5.16
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-azanidacyclopropane;tantalum
CID 59089984
2-chloro-2,4-dimethyloxasilolane
CID 15389995
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
(2S)-2-[(3S,4R)-2,2,4-trimethyloxasilolan-3-yl]propan-1-ol
CID 15139772
5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane
CID 59876818
carbanide;dichlorozirconium(2+);2-methyl-5-[3-methyl-1-[1-(2,3,4,5-tetramethylcyclopentyl)siletan-1-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]furan
CID 162287108
1-chloro-1,3-dimethylsiletane
CID 564198
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
amino-[chloro(oxiran-2-yl)methyl]-dimethylazanium
CID 87096210
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
CID 59952407
(4R,5S)-1,1,3,3,4,5-hexamethyl-1,3-disilolane
CID 91481899
lithium;carbanide;dichlorozirconium(2+);methane;bis(1-methyl-2,3,3a,7a-tetrahydro-1H-indene);bis(1,2,3,4,5-pentamethylcyclopentane);trichlorozirconium
CID 162272221

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane?
The IUPAC name of dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane (CID 23232816) is dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane.
What is the SMILES notation for dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane?
The canonical SMILES for dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane is CC1CO[Si](C)(C2C(C)C(C)C(C)C2C)[N-]1.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane?
The InChIKey is AMVIQRNXWBLYJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H26NOSi.2ClH.Zr/c1-8-7-15-16(6,14-8)13-11(4)9(2)10(3)12(13)5;;;/h8-13H,7H2,1-6H3;2*1H;/q-1;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane?
dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane has a molecular weight of 402.57 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);2,4-dimethyl-2-(2,3,4,5-tetramethylcyclopentyl)-1-oxa-3-azanida-2-silacyclopentane is sourced from PubChem (CID 23232816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).