CID 173020378

C22H40NOSiTi — CID 173020378

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C(=O)C1CCCCCCCCC1.[Ti+2]
InChIInChI=1S/C11H21NO.C9H13.C2H7Si.Ti/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h10H,1-9H2,(H2,12,13);6H,1-4H3;3H,1-2H3;/q;-1;;+2/p-1
InChIKeyFEQYCTLBPWTOTH-UHFFFAOYSA-M
MW410.52 g/mol
LogP6.94
Rot. Bonds1

About CID 173020378

CID 173020378 (PubChem CID 173020378) has the molecular formula C22H40NOSiTi and a molecular weight of 410.52 g/mol.

Molecular Properties

Compound NameCID 173020378
PubChem CID173020378
Molecular FormulaC22H40NOSiTi
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C(=O)C1CCCCCCCCC1.[Ti+2]
InChIInChI=1S/C11H21NO.C9H13.C2H7Si.Ti/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h10H,1-9H2,(H2,12,13);6H,1-4H3;3H,1-2H3;/q;-1;;+2/p-1
InChIKeyFEQYCTLBPWTOTH-UHFFFAOYSA-M
XLogP6.94
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
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 173020378?
The IUPAC name of CID 173020378 (CID 173020378) is not available.
What is the SMILES notation for CID 173020378?
The canonical SMILES for CID 173020378 is CC1=[C-]C(C)C(C)=C1C.C[SiH]C.[NH-]C(=O)C1CCCCCCCCC1.[Ti+2].
What is the InChIKey of CID 173020378?
The InChIKey is FEQYCTLBPWTOTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO.C9H13.C2H7Si.Ti/c12-11(13)10-8-6-4-2-1-3-5-7-9-10;1-6-5-7(2)9(4)8(6)3;1-3-2;/h10H,1-9H2,(H2,12,13);6H,1-4H3;3H,1-2H3;/q;-1;;+2/p-1.
What are the key properties of CID 173020378?
CID 173020378 has a molecular weight of 410.52 g/mol, XLogP of 6.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173020378 is sourced from PubChem (CID 173020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).