CID 66774589

C13H20OSi — CID 66774589

IUPAC—
SMILESCCc1cccc([Si]OC(C)C)c1CC
InChIInChI=1S/C13H20OSi/c1-5-11-8-7-9-13(12(11)6-2)15-14-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyKJRLQCHTSVJWEX-UHFFFAOYSA-N
MW220.39 g/mol
LogP2.48
Rot. Bonds5

About CID 66774589

CID 66774589 (PubChem CID 66774589) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol.

Molecular Properties

Compound NameCID 66774589
PubChem CID66774589
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name—
SMILESCCc1cccc([Si]OC(C)C)c1CC
InChIInChI=1S/C13H20OSi/c1-5-11-8-7-9-13(12(11)6-2)15-14-10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyKJRLQCHTSVJWEX-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 66773741
CID 66773741
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
CID 67436949
CID 67436949
1-(2,3-diethylphenyl)ethanamine
CID 130066606
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
(2,3-diethylphenyl)methyl-ethoxyphosphinic acid
CID 118483625
3-ethyl-2-(hydroxymethyl)benzaldehyde
CID 131495774
2,3-bis[(2,3,4-triethylphenyl)methyl]phenol
CID 67181329
CID 66773183
CID 66773183
bis(1,3-diethyl-2-propan-2-ylbenzene);bis(2-methylpropane)
CID 159950653
2-(aminomethyl)-3-ethylphenol
CID 21467751
CID 19971981
CID 19971981

Frequently Asked Questions

What is the IUPAC name of CID 66774589?
The IUPAC name of CID 66774589 (CID 66774589) is not available.
What is the SMILES notation for CID 66774589?
The canonical SMILES for CID 66774589 is CCc1cccc([Si]OC(C)C)c1CC.
What is the InChIKey of CID 66774589?
The InChIKey is KJRLQCHTSVJWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi/c1-5-11-8-7-9-13(12(11)6-2)15-14-10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of CID 66774589?
CID 66774589 has a molecular weight of 220.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66774589 is sourced from PubChem (CID 66774589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).