CID 19428649

C16H27OSi — CID 19428649

IUPAC—
SMILESC=CCC1=C(C)C(O[Si](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H27OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9H,1-2,10-11H2,3-8H3
InChIKeyZMVXKKORDXDGJF-UHFFFAOYSA-N
MW263.48 g/mol
LogP4.89
Rot. Bonds4

About CID 19428649

CID 19428649 (PubChem CID 19428649) has the molecular formula C16H27OSi and a molecular weight of 263.48 g/mol.

Molecular Properties

Compound NameCID 19428649
PubChem CID19428649
Molecular FormulaC16H27OSi
Molecular Weight263.48 g/mol
Exact Mass263.18
IUPAC Name—
SMILESC=CCC1=C(C)C(O[Si](C)C)(C(C)(C)C)CC1=C
InChIInChI=1S/C16H27OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9H,1-2,10-11H2,3-8H3
InChIKeyZMVXKKORDXDGJF-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 19428649 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 19428649?
The IUPAC name of CID 19428649 (CID 19428649) is not available.
What is the SMILES notation for CID 19428649?
The canonical SMILES for CID 19428649 is C=CCC1=C(C)C(O[Si](C)C)(C(C)(C)C)CC1=C.
What is the InChIKey of CID 19428649?
The InChIKey is ZMVXKKORDXDGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27OSi/c1-9-10-14-12(2)11-16(13(14)3,15(4,5)6)17-18(7)8/h9H,1-2,10-11H2,3-8H3.
What are the key properties of CID 19428649?
CID 19428649 has a molecular weight of 263.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19428649 is sourced from PubChem (CID 19428649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).