CID 66774794

C17H17O2Si — CID 66774794

IUPAC—
SMILESO=C(CCCC(c1ccccc1)c1ccccc1)O[Si]
InChIInChI=1S/C17H17O2Si/c18-17(19-20)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyPNGQFAQIUVXYGJ-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.62
Rot. Bonds6

About CID 66774794

CID 66774794 (PubChem CID 66774794) has the molecular formula C17H17O2Si and a molecular weight of 281.41 g/mol.

Molecular Properties

Compound NameCID 66774794
PubChem CID66774794
Molecular FormulaC17H17O2Si
Molecular Weight281.41 g/mol
Exact Mass281.10
IUPAC Name—
SMILESO=C(CCCC(c1ccccc1)c1ccccc1)O[Si]
InChIInChI=1S/C17H17O2Si/c18-17(19-20)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
InChIKeyPNGQFAQIUVXYGJ-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,5-diphenylpentanoate
CID 10923549
2-methylidene-6,6-diphenylhexanoic acid
CID 69118432
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
6,6-diphenylhex-1-en-2-amine
CID 129049790
6-(2,2-diphenylethoxy)-6-oxohexanoic acid
CID 141096193
3-O-benzyl 1-O-(4,4-diphenylbutyl) propanedioate
CID 175176228
5-phenylnonanedioic acid
CID 54103206
methyl 5-anilino-5-phenylpentanoate
CID 11818425
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
methyl 2-oxo-5,5-diphenylpentanoate
CID 18371006
2-acetyl-10,10-diphenyldecanoic acid
CID 69432252

Frequently Asked Questions

What is the IUPAC name of CID 66774794?
The IUPAC name of CID 66774794 (CID 66774794) is not available.
What is the SMILES notation for CID 66774794?
The canonical SMILES for CID 66774794 is O=C(CCCC(c1ccccc1)c1ccccc1)O[Si].
What is the InChIKey of CID 66774794?
The InChIKey is PNGQFAQIUVXYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17O2Si/c18-17(19-20)13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2.
What are the key properties of CID 66774794?
CID 66774794 has a molecular weight of 281.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66774794 is sourced from PubChem (CID 66774794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).