CID 54342981

C9H9OSi — CID 54342981

IUPAC—
SMILESC=CCOc1ccccc1[Si]
InChIInChI=1S/C9H9OSi/c1-2-7-10-8-5-3-4-6-9(8)11/h2-6H,1,7H2
InChIKeyYCICLTJHUPYWSJ-UHFFFAOYSA-N
MW161.26 g/mol
LogP1.05
Rot. Bonds3

About CID 54342981

CID 54342981 (PubChem CID 54342981) has the molecular formula C9H9OSi and a molecular weight of 161.26 g/mol.

Molecular Properties

Compound NameCID 54342981
PubChem CID54342981
Molecular FormulaC9H9OSi
Molecular Weight161.26 g/mol
Exact Mass161.04
IUPAC Name—
SMILESC=CCOc1ccccc1[Si]
InChIInChI=1S/C9H9OSi/c1-2-7-10-8-5-3-4-6-9(8)11/h2-6H,1,7H2
InChIKeyYCICLTJHUPYWSJ-UHFFFAOYSA-N
XLogP1.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 51.05
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'}

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Related Compounds

1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
1-prop-2-enoxy-2-[2-(2-prop-2-enoxyphenyl)propan-2-yl]benzene
CID 121396887
1-prop-1-enoxy-2-prop-2-enoxybenzene
CID 57352619
2-prop-2-enoxybenzenesulfonamide
CID 13321757
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
dimethyl-(2-prop-2-enoxyphenyl)-trimethylsilylsilane
CID 86230552
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071

Frequently Asked Questions

What is the IUPAC name of CID 54342981?
The IUPAC name of CID 54342981 (CID 54342981) is not available.
What is the SMILES notation for CID 54342981?
The canonical SMILES for CID 54342981 is C=CCOc1ccccc1[Si].
What is the InChIKey of CID 54342981?
The InChIKey is YCICLTJHUPYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9OSi/c1-2-7-10-8-5-3-4-6-9(8)11/h2-6H,1,7H2.
What are the key properties of CID 54342981?
CID 54342981 has a molecular weight of 161.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54342981 is sourced from PubChem (CID 54342981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).