CID 22023550

C14H22HfSi-3 — CID 22023550

IUPAC—
SMILESC[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[Hf]
InChIInChI=1S/2C5H5.C3H9Si.CH3.Hf/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-3H,4H2;1-3H3;1H3;/q2*-1;;-1;
InChIKeySIWHXFSLPALBAS-UHFFFAOYSA-N
MW396.91 g/mol
LogP4.43
Rot. Bonds

About CID 22023550

CID 22023550 (PubChem CID 22023550) has the molecular formula C14H22HfSi-3 and a molecular weight of 396.91 g/mol.

Molecular Properties

Compound NameCID 22023550
PubChem CID22023550
Molecular FormulaC14H22HfSi-3
Molecular Weight396.91 g/mol
Exact Mass398.10
IUPAC Name—
SMILESC[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[Hf]
InChIInChI=1S/2C5H5.C3H9Si.CH3.Hf/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-3H,4H2;1-3H3;1H3;/q2*-1;;-1;
InChIKeySIWHXFSLPALBAS-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.91
LogP ≤ 54.43
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

CID 18766778
CID 18766778
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
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CID 173399564
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
CID 19611913
CID 19611913
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314

Frequently Asked Questions

What is the IUPAC name of CID 22023550?
The IUPAC name of CID 22023550 (CID 22023550) is not available.
What is the SMILES notation for CID 22023550?
The canonical SMILES for CID 22023550 is C[Si](C)C.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[Hf].
What is the InChIKey of CID 22023550?
The InChIKey is SIWHXFSLPALBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C3H9Si.CH3.Hf/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-3H,4H2;1-3H3;1H3;/q2*-1;;-1;.
What are the key properties of CID 22023550?
CID 22023550 has a molecular weight of 396.91 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22023550 is sourced from PubChem (CID 22023550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).