CID 10952299

C34H30Cl2SiZr — CID 10952299

IUPAC—
SMILESC[C]1[CH][C]2[C](C=CC=C2c2ccccc2)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C34H30Si.2ClH.Zr/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26;;;/h5-22H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyFPEFTEGPUHYNAH-UHFFFAOYSA-L
MW628.83 g/mol
LogP9.53
Rot. Bonds4

About CID 10952299

CID 10952299 (PubChem CID 10952299) has the molecular formula C34H30Cl2SiZr and a molecular weight of 628.83 g/mol.

Molecular Properties

Compound NameCID 10952299
PubChem CID10952299
Molecular FormulaC34H30Cl2SiZr
Molecular Weight628.83 g/mol
Exact Mass626.05
IUPAC Name—
SMILESC[C]1[CH][C]2[C](C=CC=C2c2ccccc2)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C34H30Si.2ClH.Zr/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26;;;/h5-22H,1-4H3;2*1H;/q;;;+2/p-2
InChIKeyFPEFTEGPUHYNAH-UHFFFAOYSA-L
XLogP9.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.83
LogP ≤ 59.53
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 10952299?
The IUPAC name of CID 10952299 (CID 10952299) is not available.
What is the SMILES notation for CID 10952299?
The canonical SMILES for CID 10952299 is C[C]1[CH][C]2[C](C=CC=C2c2ccccc2)[C]1[Si](C)(C)[C]1[C](C)[CH][C]2[C]1C=CC=C2c1ccccc1.Cl[Zr]Cl.
What is the InChIKey of CID 10952299?
The InChIKey is FPEFTEGPUHYNAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H30Si.2ClH.Zr/c1-23-21-31-27(25-13-7-5-8-14-25)17-11-19-29(31)33(23)35(3,4)34-24(2)22-32-28(18-12-20-30(32)34)26-15-9-6-10-16-26;;;/h5-22H,1-4H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 10952299?
CID 10952299 has a molecular weight of 628.83 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10952299 is sourced from PubChem (CID 10952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).