CID 173180083

C17H32NSiTi — CID 173180083

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C6H12N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-2;/h6H,1-4H3;6-7H,1-5H2;3H,1-2H3;/q2*-1;;+2
InChIKeyJCULIUZQLGYWQU-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.61
Rot. Bonds

About CID 173180083

CID 173180083 (PubChem CID 173180083) has the molecular formula C17H32NSiTi and a molecular weight of 326.40 g/mol.

Molecular Properties

Compound NameCID 173180083
PubChem CID173180083
Molecular FormulaC17H32NSiTi
Molecular Weight326.40 g/mol
Exact Mass326.18
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCC1.[Ti+2]
InChIInChI=1S/C9H13.C6H12N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-2;/h6H,1-4H3;6-7H,1-5H2;3H,1-2H3;/q2*-1;;+2
InChIKeyJCULIUZQLGYWQU-UHFFFAOYSA-N
XLogP5.61
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.61
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 173180083?
The IUPAC name of CID 173180083 (CID 173180083) is not available.
What is the SMILES notation for CID 173180083?
The canonical SMILES for CID 173180083 is CC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C1CCCCC1.[Ti+2].
What is the InChIKey of CID 173180083?
The InChIKey is JCULIUZQLGYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C6H12N.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;7-6-4-2-1-3-5-6;1-3-2;/h6H,1-4H3;6-7H,1-5H2;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 173180083?
CID 173180083 has a molecular weight of 326.40 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173180083 is sourced from PubChem (CID 173180083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).