CID 154595634

C18H20NO2Si — CID 154595634

IUPAC—
SMILESCN(C)c1ccc(C(=O)c2ccc(OCCC[Si])cc2)cc1
InChIInChI=1S/C18H20NO2Si/c1-19(2)16-8-4-14(5-9-16)18(20)15-6-10-17(11-7-15)21-12-3-13-22/h4-11H,3,12-13H2,1-2H3
InChIKeyGSCFZXKHWDINFR-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.34
Rot. Bonds7

About CID 154595634

CID 154595634 (PubChem CID 154595634) has the molecular formula C18H20NO2Si and a molecular weight of 310.45 g/mol.

Molecular Properties

Compound NameCID 154595634
PubChem CID154595634
Molecular FormulaC18H20NO2Si
Molecular Weight310.45 g/mol
Exact Mass310.13
IUPAC Name—
SMILESCN(C)c1ccc(C(=O)c2ccc(OCCC[Si])cc2)cc1
InChIInChI=1S/C18H20NO2Si/c1-19(2)16-8-4-14(5-9-16)18(20)15-6-10-17(11-7-15)21-12-3-13-22/h4-11H,3,12-13H2,1-2H3
InChIKeyGSCFZXKHWDINFR-UHFFFAOYSA-N
XLogP3.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[3-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propoxy]phenyl]methanone
CID 140893017
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
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4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
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CID 66812492
[4-[bis(2-chloroethyl)amino]phenyl]-(4-butoxyphenyl)methanone
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[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
[4-[9-(dimethylamino)nonoxy]phenyl]-phenylmethanone
CID 19760990
4-hexoxy-N,N-dimethylaniline
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bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
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[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756

Frequently Asked Questions

What is the IUPAC name of CID 154595634?
The IUPAC name of CID 154595634 (CID 154595634) is not available.
What is the SMILES notation for CID 154595634?
The canonical SMILES for CID 154595634 is CN(C)c1ccc(C(=O)c2ccc(OCCC[Si])cc2)cc1.
What is the InChIKey of CID 154595634?
The InChIKey is GSCFZXKHWDINFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO2Si/c1-19(2)16-8-4-14(5-9-16)18(20)15-6-10-17(11-7-15)21-12-3-13-22/h4-11H,3,12-13H2,1-2H3.
What are the key properties of CID 154595634?
CID 154595634 has a molecular weight of 310.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154595634 is sourced from PubChem (CID 154595634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).