CID 87328657

C22H34NSiTi-5 — CID 87328657

IUPAC—
SMILESCC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[H]/[C-]=C(/C)C(=C)C.[Si].[Ti]
InChIInChI=1S/C10H9.C6H9.C4H10N.2CH3.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5(2)6(3)4;1-4(2,3)5;;;;/h2-7H,1H3;1H,3H2,2,4H3;5H,1-3H3;2*1H3;;/q5*-1;;
InChIKeySHGBDHCPHTYXCX-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.16
Rot. Bonds1

About CID 87328657

CID 87328657 (PubChem CID 87328657) has the molecular formula C22H34NSiTi-5 and a molecular weight of 388.47 g/mol.

Molecular Properties

Compound NameCID 87328657
PubChem CID87328657
Molecular FormulaC22H34NSiTi-5
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name—
SMILESCC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[H]/[C-]=C(/C)C(=C)C.[Si].[Ti]
InChIInChI=1S/C10H9.C6H9.C4H10N.2CH3.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5(2)6(3)4;1-4(2,3)5;;;;/h2-7H,1H3;1H,3H2,2,4H3;5H,1-3H3;2*1H3;;/q5*-1;;
InChIKeySHGBDHCPHTYXCX-UHFFFAOYSA-N
XLogP7.16
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.16
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87328657?
The IUPAC name of CID 87328657 (CID 87328657) is not available.
What is the SMILES notation for CID 87328657?
The canonical SMILES for CID 87328657 is CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[H]/[C-]=C(/C)C(=C)C.[Si].[Ti].
What is the InChIKey of CID 87328657?
The InChIKey is SHGBDHCPHTYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C6H9.C4H10N.2CH3.Si.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5(2)6(3)4;1-4(2,3)5;;;;/h2-7H,1H3;1H,3H2,2,4H3;5H,1-3H3;2*1H3;;/q5*-1;;.
What are the key properties of CID 87328657?
CID 87328657 has a molecular weight of 388.47 g/mol, XLogP of 7.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87328657 is sourced from PubChem (CID 87328657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).