CID 174755667

C12H16OSi — CID 174755667

IUPAC—
SMILESC=CCC[Si]c1ccccc1COC
InChIInChI=1S/C12H16OSi/c1-3-4-9-14-12-8-6-5-7-11(12)10-13-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyXERACKLUKPUISI-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.16
Rot. Bonds6

About CID 174755667

CID 174755667 (PubChem CID 174755667) has the molecular formula C12H16OSi and a molecular weight of 204.34 g/mol.

Molecular Properties

Compound NameCID 174755667
PubChem CID174755667
Molecular FormulaC12H16OSi
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name—
SMILESC=CCC[Si]c1ccccc1COC
InChIInChI=1S/C12H16OSi/c1-3-4-9-14-12-8-6-5-7-11(12)10-13-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyXERACKLUKPUISI-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 19904535
CID 19904535
2-(methoxymethyl)-N-[(4-prop-2-enoxyphenyl)methyl]aniline
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CID 174761838
[2-[2-(methoxymethyl)-6-phosphanylphenyl]phenyl]phosphane
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Frequently Asked Questions

What is the IUPAC name of CID 174755667?
The IUPAC name of CID 174755667 (CID 174755667) is not available.
What is the SMILES notation for CID 174755667?
The canonical SMILES for CID 174755667 is C=CCC[Si]c1ccccc1COC.
What is the InChIKey of CID 174755667?
The InChIKey is XERACKLUKPUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-3-4-9-14-12-8-6-5-7-11(12)10-13-2/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of CID 174755667?
CID 174755667 has a molecular weight of 204.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174755667 is sourced from PubChem (CID 174755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).