CID 134991816

C20H16Cl2Zr — CID 134991816

IUPAC—
SMILESCl[Zr]Cl.[CH]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1
InChIInChI=1S/C20H16.2ClH.Zr/c1-2-8-15(7-1)13-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyGXVCJRQOUKASOF-UHFFFAOYSA-L
MW418.48 g/mol
LogP5.69
Rot. Bonds3

About CID 134991816

CID 134991816 (PubChem CID 134991816) has the molecular formula C20H16Cl2Zr and a molecular weight of 418.48 g/mol.

Molecular Properties

Compound NameCID 134991816
PubChem CID134991816
Molecular FormulaC20H16Cl2Zr
Molecular Weight418.48 g/mol
Exact Mass415.97
IUPAC Name—
SMILESCl[Zr]Cl.[CH]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1
InChIInChI=1S/C20H16.2ClH.Zr/c1-2-8-15(7-1)13-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyGXVCJRQOUKASOF-UHFFFAOYSA-L
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
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Bis(tetrahydroindenyl)ethane
CID 88193156
CID 117060276
CID 117060276
Bis(tetrahydroindenyl)zirconiumdichloride
CID 129694721
1,2-Bis(tetrahydroindenyl)ethane
CID 129702092
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CID 134866152
Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride
CID 102600867
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
Ethylenebis(1-indenyl)titanium(iv)dichloride
CID 102602582
(r,r,r)-1,2-Bis(tetrahydroindenyl)ethane
CID 129699750
CID 134902129
CID 134902129

Frequently Asked Questions

What is the IUPAC name of CID 134991816?
The IUPAC name of CID 134991816 (CID 134991816) is not available.
What is the SMILES notation for CID 134991816?
The canonical SMILES for CID 134991816 is Cl[Zr]Cl.[CH]1[CH][CH][C](CC[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.
What is the InChIKey of CID 134991816?
The InChIKey is GXVCJRQOUKASOF-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16.2ClH.Zr/c1-2-8-15(7-1)13-14-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20;;;/h1-12H,13-14H2;2*1H;/q;;;+2/p-2.
What are the key properties of CID 134991816?
CID 134991816 has a molecular weight of 418.48 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991816 is sourced from PubChem (CID 134991816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).