CID 174442586

C18H27SiTi — CID 174442586

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[CH2-]c1ccccc1.[Ti+2]
InChIInChI=1S/C9H13.C7H7.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-7-5-3-2-4-6-7;1-3-2;/h6H,1-4H3;2-6H,1H2;3H,1-2H3;/q2*-1;;+2
InChIKeyMZCWFQODQMMSHZ-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.11
Rot. Bonds

About CID 174442586

CID 174442586 (PubChem CID 174442586) has the molecular formula C18H27SiTi and a molecular weight of 319.37 g/mol.

Molecular Properties

Compound NameCID 174442586
PubChem CID174442586
Molecular FormulaC18H27SiTi
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[CH2-]c1ccccc1.[Ti+2]
InChIInChI=1S/C9H13.C7H7.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-7-5-3-2-4-6-7;1-3-2;/h6H,1-4H3;2-6H,1H2;3H,1-2H3;/q2*-1;;+2
InChIKeyMZCWFQODQMMSHZ-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.11
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 174442586?
The IUPAC name of CID 174442586 (CID 174442586) is not available.
What is the SMILES notation for CID 174442586?
The canonical SMILES for CID 174442586 is CC1=[C-]C(C)C(C)=C1C.C[SiH]C.[CH2-]c1ccccc1.[Ti+2].
What is the InChIKey of CID 174442586?
The InChIKey is MZCWFQODQMMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C7H7.C2H7Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-7-5-3-2-4-6-7;1-3-2;/h6H,1-4H3;2-6H,1H2;3H,1-2H3;/q2*-1;;+2.
What are the key properties of CID 174442586?
CID 174442586 has a molecular weight of 319.37 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174442586 is sourced from PubChem (CID 174442586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).