CID 173212519

C22H35OSiZr- — CID 173212519

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si]C.Cc1cc(O)cc(C(C)(C)C)c1.[Zr]
InChIInChI=1S/C11H16O.C9H13.C2H6Si.Zr/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;1-3-2;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;/q;-1;;
InChIKeyXSCMGGMRFBOTHM-UHFFFAOYSA-N
MW434.83 g/mol
LogP6.50
Rot. Bonds

About CID 173212519

CID 173212519 (PubChem CID 173212519) has the molecular formula C22H35OSiZr- and a molecular weight of 434.83 g/mol.

Molecular Properties

Compound NameCID 173212519
PubChem CID173212519
Molecular FormulaC22H35OSiZr-
Molecular Weight434.83 g/mol
Exact Mass433.15
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si]C.Cc1cc(O)cc(C(C)(C)C)c1.[Zr]
InChIInChI=1S/C11H16O.C9H13.C2H6Si.Zr/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;1-3-2;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;/q;-1;;
InChIKeyXSCMGGMRFBOTHM-UHFFFAOYSA-N
XLogP6.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.83
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173212519?
The IUPAC name of CID 173212519 (CID 173212519) is not available.
What is the SMILES notation for CID 173212519?
The canonical SMILES for CID 173212519 is CC1=[C-]C(C)C(C)=C1C.C[Si]C.Cc1cc(O)cc(C(C)(C)C)c1.[Zr].
What is the InChIKey of CID 173212519?
The InChIKey is XSCMGGMRFBOTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C9H13.C2H6Si.Zr/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;1-3-2;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;/q;-1;;.
What are the key properties of CID 173212519?
CID 173212519 has a molecular weight of 434.83 g/mol, XLogP of 6.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173212519 is sourced from PubChem (CID 173212519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).