CID 67461549

C11H13O2Si — CID 67461549

IUPAC—
SMILESC=CC(=O)Oc1ccccc1[Si](C)C
InChIInChI=1S/C11H13O2Si/c1-4-11(12)13-9-7-5-6-8-10(9)14(2)3/h4-8H,1H2,2-3H3
InChIKeyIIOYNVSUNZERGP-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.74
Rot. Bonds3

About CID 67461549

CID 67461549 (PubChem CID 67461549) has the molecular formula C11H13O2Si and a molecular weight of 205.31 g/mol.

Molecular Properties

Compound NameCID 67461549
PubChem CID67461549
Molecular FormulaC11H13O2Si
Molecular Weight205.31 g/mol
Exact Mass205.07
IUPAC Name—
SMILESC=CC(=O)Oc1ccccc1[Si](C)C
InChIInChI=1S/C11H13O2Si/c1-4-11(12)13-9-7-5-6-8-10(9)14(2)3/h4-8H,1H2,2-3H3
InChIKeyIIOYNVSUNZERGP-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
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naphthalen-1-yl prop-2-enoate
CID 10192638
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891
[2-(methylaminomethyl)phenyl] prop-2-enoate
CID 175008557
[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate
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[2-(5-methyl-2-propan-2-ylcyclohexyl)phenyl] prop-2-enoate
CID 67635828
[5-[(E)-3-prop-2-enoyloxybut-2-en-2-yl]oxynaphthalen-1-yl] prop-2-enoate
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benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141

Frequently Asked Questions

What is the IUPAC name of CID 67461549?
The IUPAC name of CID 67461549 (CID 67461549) is not available.
What is the SMILES notation for CID 67461549?
The canonical SMILES for CID 67461549 is C=CC(=O)Oc1ccccc1[Si](C)C.
What is the InChIKey of CID 67461549?
The InChIKey is IIOYNVSUNZERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2Si/c1-4-11(12)13-9-7-5-6-8-10(9)14(2)3/h4-8H,1H2,2-3H3.
What are the key properties of CID 67461549?
CID 67461549 has a molecular weight of 205.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67461549 is sourced from PubChem (CID 67461549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).