CID 10958852

C19H24Zr+2 — CID 10958852

IUPAC—
SMILES[CH2-][C@H]1/C(=[C-]/C)CC[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]
InChIInChI=1S/C9H14.2C5H5.Zr/c1-4-9-6-5-7(2)8(9)3;2*1-2-4-5-3-1;/h7-8H,3,5-6H2,1-2H3;2*1-5H;/q-2;;;+4/t7-,8+;;;/m0.../s1
InChIKeyHJWGJTQLVFQQCP-WCZHJHOJSA-N
MW343.62 g/mol
LogP4.66
Rot. Bonds

About CID 10958852

CID 10958852 (PubChem CID 10958852) has the molecular formula C19H24Zr+2 and a molecular weight of 343.62 g/mol.

Molecular Properties

Compound NameCID 10958852
PubChem CID10958852
Molecular FormulaC19H24Zr+2
Molecular Weight343.62 g/mol
Exact Mass342.09
IUPAC Name—
SMILES[CH2-][C@H]1/C(=[C-]/C)CC[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]
InChIInChI=1S/C9H14.2C5H5.Zr/c1-4-9-6-5-7(2)8(9)3;2*1-2-4-5-3-1;/h7-8H,3,5-6H2,1-2H3;2*1-5H;/q-2;;;+4/t7-,8+;;;/m0.../s1
InChIKeyHJWGJTQLVFQQCP-WCZHJHOJSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10958852?
The IUPAC name of CID 10958852 (CID 10958852) is not available.
What is the SMILES notation for CID 10958852?
The canonical SMILES for CID 10958852 is [CH2-][C@H]1/C(=[C-]/C)CC[C@@H]1C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4].
What is the InChIKey of CID 10958852?
The InChIKey is HJWGJTQLVFQQCP-WCZHJHOJSA-N. The full InChI is InChI=1S/C9H14.2C5H5.Zr/c1-4-9-6-5-7(2)8(9)3;2*1-2-4-5-3-1;/h7-8H,3,5-6H2,1-2H3;2*1-5H;/q-2;;;+4/t7-,8+;;;/m0.../s1.
What are the key properties of CID 10958852?
CID 10958852 has a molecular weight of 343.62 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10958852 is sourced from PubChem (CID 10958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).