CID 173214871

C10H24Cl2O2Si2Zr-3 — CID 173214871

IUPAC—
SMILESC[SiH]C.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-]
InChIInChI=1S/C5H5.C2H5O.C2H7Si.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-3-2;;;;;;/h1-3H,4H2;3H,1-2H2;3H,1-2H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;
InChIKeySZNVBSICHPOLRF-UHFFFAOYSA-N
MW394.60 g/mol
LogP1.89
Rot. Bonds

About CID 173214871

CID 173214871 (PubChem CID 173214871) has the molecular formula C10H24Cl2O2Si2Zr-3 and a molecular weight of 394.60 g/mol.

Molecular Properties

Compound NameCID 173214871
PubChem CID173214871
Molecular FormulaC10H24Cl2O2Si2Zr-3
Molecular Weight394.60 g/mol
Exact Mass391.98
IUPAC Name—
SMILESC[SiH]C.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-]
InChIInChI=1S/C5H5.C2H5O.C2H7Si.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-3-2;;;;;;/h1-3H,4H2;3H,1-2H2;3H,1-2H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;
InChIKeySZNVBSICHPOLRF-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173214871?
The IUPAC name of CID 173214871 (CID 173214871) is not available.
What is the SMILES notation for CID 173214871?
The canonical SMILES for CID 173214871 is C[SiH]C.Cl.Cl.O=[Zr]=[SiH2].[C-]1=CC=CC1.[CH2-]CO.[CH3-].
What is the InChIKey of CID 173214871?
The InChIKey is SZNVBSICHPOLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C2H5O.C2H7Si.CH3.2ClH.O.H2Si.Zr/c1-2-4-5-3-1;1-2-3;1-3-2;;;;;;/h1-3H,4H2;3H,1-2H2;3H,1-2H3;1H3;2*1H;;1H2;/q2*-1;;-1;;;;;.
What are the key properties of CID 173214871?
CID 173214871 has a molecular weight of 394.60 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173214871 is sourced from PubChem (CID 173214871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).