CID 150831178

C19H36NSiTi — CID 150831178

IUPAC—
SMILESC[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C8H16N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;9-8-6-4-2-1-3-5-7-8;1-3-2;/h5H,1-4H3;8-9H,1-7H2;3H,1-2H3;/q2*-1;;+2
InChIKeyUYFAWDFBAGAZCC-UHFFFAOYSA-N
MW354.46 g/mol
LogP6.31
Rot. Bonds

About CID 150831178

CID 150831178 (PubChem CID 150831178) has the molecular formula C19H36NSiTi and a molecular weight of 354.46 g/mol.

Molecular Properties

Compound NameCID 150831178
PubChem CID150831178
Molecular FormulaC19H36NSiTi
Molecular Weight354.46 g/mol
Exact Mass354.21
IUPAC Name—
SMILESC[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C8H16N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;9-8-6-4-2-1-3-5-7-8;1-3-2;/h5H,1-4H3;8-9H,1-7H2;3H,1-2H3;/q2*-1;;+2
InChIKeyUYFAWDFBAGAZCC-UHFFFAOYSA-N
XLogP6.31
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 56.31
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 150831178?
The IUPAC name of CID 150831178 (CID 150831178) is not available.
What is the SMILES notation for CID 150831178?
The canonical SMILES for CID 150831178 is C[SiH]C.Cc1c[c-](C)c(C)c1C.[NH-]C1CCCCCCC1.[Ti+2].
What is the InChIKey of CID 150831178?
The InChIKey is UYFAWDFBAGAZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C8H16N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;9-8-6-4-2-1-3-5-7-8;1-3-2;/h5H,1-4H3;8-9H,1-7H2;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 150831178?
CID 150831178 has a molecular weight of 354.46 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150831178 is sourced from PubChem (CID 150831178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).