CID 136722619

C18H18O2Si — CID 136722619

IUPAC—
SMILESC=C(CO[Si]OCC(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2Si/c1-15(17-9-5-3-6-10-17)13-19-21-20-14-16(2)18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
InChIKeyINWGQESXUPMWSQ-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.98
Rot. Bonds8

About CID 136722619

CID 136722619 (PubChem CID 136722619) has the molecular formula C18H18O2Si and a molecular weight of 294.43 g/mol.

Molecular Properties

Compound NameCID 136722619
PubChem CID136722619
Molecular FormulaC18H18O2Si
Molecular Weight294.43 g/mol
Exact Mass294.11
IUPAC Name—
SMILESC=C(CO[Si]OCC(=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O2Si/c1-15(17-9-5-3-6-10-17)13-19-21-20-14-16(2)18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
InChIKeyINWGQESXUPMWSQ-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
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CID 175197492
3-phenylbut-3-enoxysilane
CID 173347407
pent-1-en-2-ylbenzene
CID 521761
3-phenylbut-3-enoic acid
CID 10702134
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 136722619?
The IUPAC name of CID 136722619 (CID 136722619) is not available.
What is the SMILES notation for CID 136722619?
The canonical SMILES for CID 136722619 is C=C(CO[Si]OCC(=C)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 136722619?
The InChIKey is INWGQESXUPMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2Si/c1-15(17-9-5-3-6-10-17)13-19-21-20-14-16(2)18-11-7-4-8-12-18/h3-12H,1-2,13-14H2.
What are the key properties of CID 136722619?
CID 136722619 has a molecular weight of 294.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136722619 is sourced from PubChem (CID 136722619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).