CID 173172683

C14H33NSi2Zr-2 — CID 173172683

IUPAC—
SMILESCC(C)(C)[NH-].C[SiH]C.C[Si](C)C.[C-]1=CC=CC1.[H-].[H-].[Zr+2]
InChIInChI=1S/C5H5.C4H10N.C3H9Si.C2H7Si.Zr.2H/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;;;/q2*-1;;;+2;2*-1
InChIKeyNMUHNQHKKUJEKO-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.25
Rot. Bonds

About CID 173172683

CID 173172683 (PubChem CID 173172683) has the molecular formula C14H33NSi2Zr-2 and a molecular weight of 362.82 g/mol.

Molecular Properties

Compound NameCID 173172683
PubChem CID173172683
Molecular FormulaC14H33NSi2Zr-2
Molecular Weight362.82 g/mol
Exact Mass361.12
IUPAC Name—
SMILESCC(C)(C)[NH-].C[SiH]C.C[Si](C)C.[C-]1=CC=CC1.[H-].[H-].[Zr+2]
InChIInChI=1S/C5H5.C4H10N.C3H9Si.C2H7Si.Zr.2H/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;;;/q2*-1;;;+2;2*-1
InChIKeyNMUHNQHKKUJEKO-UHFFFAOYSA-N
XLogP5.25
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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CID 173187831
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CID 173302274
CID 173302274
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Frequently Asked Questions

What is the IUPAC name of CID 173172683?
The IUPAC name of CID 173172683 (CID 173172683) is not available.
What is the SMILES notation for CID 173172683?
The canonical SMILES for CID 173172683 is CC(C)(C)[NH-].C[SiH]C.C[Si](C)C.[C-]1=CC=CC1.[H-].[H-].[Zr+2].
What is the InChIKey of CID 173172683?
The InChIKey is NMUHNQHKKUJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.C3H9Si.C2H7Si.Zr.2H/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;;;/q2*-1;;;+2;2*-1.
What are the key properties of CID 173172683?
CID 173172683 has a molecular weight of 362.82 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173172683 is sourced from PubChem (CID 173172683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).