CID 135046895

C20H30Br2SiZr — CID 135046895

IUPAC—
SMILESBr[Zr]Br.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C
InChIInChI=1S/C20H30Si.2BrH.Zr/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;;;/h1-10H3;2*1H;/q;;;+2/p-2
InChIKeyNUHVNJMZQNAEBI-UHFFFAOYSA-L
MW549.58 g/mol
LogP7.39
Rot. Bonds2

About CID 135046895

CID 135046895 (PubChem CID 135046895) has the molecular formula C20H30Br2SiZr and a molecular weight of 549.58 g/mol.

Molecular Properties

Compound NameCID 135046895
PubChem CID135046895
Molecular FormulaC20H30Br2SiZr
Molecular Weight549.58 g/mol
Exact Mass545.95
IUPAC Name—
SMILESBr[Zr]Br.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C
InChIInChI=1S/C20H30Si.2BrH.Zr/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;;;/h1-10H3;2*1H;/q;;;+2/p-2
InChIKeyNUHVNJMZQNAEBI-UHFFFAOYSA-L
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.58
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135046895?
The IUPAC name of CID 135046895 (CID 135046895) is not available.
What is the SMILES notation for CID 135046895?
The canonical SMILES for CID 135046895 is Br[Zr]Br.C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.
What is the InChIKey of CID 135046895?
The InChIKey is NUHVNJMZQNAEBI-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H30Si.2BrH.Zr/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;;;/h1-10H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 135046895?
CID 135046895 has a molecular weight of 549.58 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046895 is sourced from PubChem (CID 135046895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).