CID 87839751

C15H31Cl2NSiTi- — CID 87839751

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)NC(C)(C)C.Cl.Cl.[Ti]
InChIInChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-6(2,3)7-8(4)5;;;/h6H,1-4H3;7H,1-5H3;2*1H;/q-1;;;;
InChIKeyDEWZTNOXQSXYRK-UHFFFAOYSA-N
MW372.28 g/mol
LogP5.19
Rot. Bonds1

About CID 87839751

CID 87839751 (PubChem CID 87839751) has the molecular formula C15H31Cl2NSiTi- and a molecular weight of 372.28 g/mol.

Molecular Properties

Compound NameCID 87839751
PubChem CID87839751
Molecular FormulaC15H31Cl2NSiTi-
Molecular Weight372.28 g/mol
Exact Mass371.11
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)NC(C)(C)C.Cl.Cl.[Ti]
InChIInChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-6(2,3)7-8(4)5;;;/h6H,1-4H3;7H,1-5H3;2*1H;/q-1;;;;
InChIKeyDEWZTNOXQSXYRK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87839751?
The IUPAC name of CID 87839751 (CID 87839751) is not available.
What is the SMILES notation for CID 87839751?
The canonical SMILES for CID 87839751 is CC1=[C-]C(C)C(C)=C1C.C[Si](C)NC(C)(C)C.Cl.Cl.[Ti].
What is the InChIKey of CID 87839751?
The InChIKey is DEWZTNOXQSXYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-6(2,3)7-8(4)5;;;/h6H,1-4H3;7H,1-5H3;2*1H;/q-1;;;;.
What are the key properties of CID 87839751?
CID 87839751 has a molecular weight of 372.28 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87839751 is sourced from PubChem (CID 87839751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).