CID 87347815

C15H28Cl2NSiTi — CID 87347815

IUPAC—
SMILESCC1=C(C)C(C)(C)C([Si](C)NC(C)(C)C)=C1C.Cl[Ti]Cl
InChIInChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(15(7,8)12(10)3)17(9)16-14(4,5)6;;;/h16H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyHDWQBYHYQWAYIH-UHFFFAOYSA-L
MW369.26 g/mol
LogP5.60
Rot. Bonds2

About CID 87347815

CID 87347815 (PubChem CID 87347815) has the molecular formula C15H28Cl2NSiTi and a molecular weight of 369.26 g/mol.

Molecular Properties

Compound NameCID 87347815
PubChem CID87347815
Molecular FormulaC15H28Cl2NSiTi
Molecular Weight369.26 g/mol
Exact Mass368.08
IUPAC Name—
SMILESCC1=C(C)C(C)(C)C([Si](C)NC(C)(C)C)=C1C.Cl[Ti]Cl
InChIInChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(15(7,8)12(10)3)17(9)16-14(4,5)6;;;/h16H,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyHDWQBYHYQWAYIH-UHFFFAOYSA-L
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 87347815?
The IUPAC name of CID 87347815 (CID 87347815) is not available.
What is the SMILES notation for CID 87347815?
The canonical SMILES for CID 87347815 is CC1=C(C)C(C)(C)C([Si](C)NC(C)(C)C)=C1C.Cl[Ti]Cl.
What is the InChIKey of CID 87347815?
The InChIKey is HDWQBYHYQWAYIH-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(15(7,8)12(10)3)17(9)16-14(4,5)6;;;/h16H,1-9H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 87347815?
CID 87347815 has a molecular weight of 369.26 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87347815 is sourced from PubChem (CID 87347815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).