CID 87147080

C19H25Cl2NSiTi- — CID 87147080

IUPAC—
SMILESCC(C)(C)[NH-].C[Si](C)c1cccc2c1Cc1ccccc1-2.Cl[Ti]Cl
InChIInChI=1S/C15H15Si.C4H10N.2ClH.Ti/c1-16(2)15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15;1-4(2,3)5;;;/h3-9H,10H2,1-2H3;5H,1-3H3;2*1H;/q;-1;;;+2/p-2
InChIKeyNVOAWEFUEAPEOC-UHFFFAOYSA-L
MW414.28 g/mol
LogP6.43
Rot. Bonds1

About CID 87147080

CID 87147080 (PubChem CID 87147080) has the molecular formula C19H25Cl2NSiTi- and a molecular weight of 414.28 g/mol.

Molecular Properties

Compound NameCID 87147080
PubChem CID87147080
Molecular FormulaC19H25Cl2NSiTi-
Molecular Weight414.28 g/mol
Exact Mass413.06
IUPAC Name—
SMILESCC(C)(C)[NH-].C[Si](C)c1cccc2c1Cc1ccccc1-2.Cl[Ti]Cl
InChIInChI=1S/C15H15Si.C4H10N.2ClH.Ti/c1-16(2)15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15;1-4(2,3)5;;;/h3-9H,10H2,1-2H3;5H,1-3H3;2*1H;/q;-1;;;+2/p-2
InChIKeyNVOAWEFUEAPEOC-UHFFFAOYSA-L
XLogP6.43
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.28
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87147080?
The IUPAC name of CID 87147080 (CID 87147080) is not available.
What is the SMILES notation for CID 87147080?
The canonical SMILES for CID 87147080 is CC(C)(C)[NH-].C[Si](C)c1cccc2c1Cc1ccccc1-2.Cl[Ti]Cl.
What is the InChIKey of CID 87147080?
The InChIKey is NVOAWEFUEAPEOC-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H15Si.C4H10N.2ClH.Ti/c1-16(2)15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15;1-4(2,3)5;;;/h3-9H,10H2,1-2H3;5H,1-3H3;2*1H;/q;-1;;;+2/p-2.
What are the key properties of CID 87147080?
CID 87147080 has a molecular weight of 414.28 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87147080 is sourced from PubChem (CID 87147080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).