CID 136908341

C22H23OSi — CID 136908341

IUPAC—
SMILESc1ccc(COCCC[Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OSi/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2
InChIKeyPPWCQPOVBSEWKQ-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.90
Rot. Bonds8

About CID 136908341

CID 136908341 (PubChem CID 136908341) has the molecular formula C22H23OSi and a molecular weight of 331.51 g/mol.

Molecular Properties

Compound NameCID 136908341
PubChem CID136908341
Molecular FormulaC22H23OSi
Molecular Weight331.51 g/mol
Exact Mass331.15
IUPAC Name—
SMILESc1ccc(COCCC[Si](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OSi/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2
InChIKeyPPWCQPOVBSEWKQ-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.90
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'}

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Related Compounds

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butoxymethylbenzene;ethane
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methanidyl-methyl-(3-phenylmethoxypropyl)azanium
CID 155624899
lithium;butoxymethylbenzene;hydride
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5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
20-phenylmethoxyicos-10-enoxymethylbenzene
CID 54404919
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
tribromo(3-phenylmethoxypropyl)silane
CID 66954985
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469

Frequently Asked Questions

What is the IUPAC name of CID 136908341?
The IUPAC name of CID 136908341 (CID 136908341) is not available.
What is the SMILES notation for CID 136908341?
The canonical SMILES for CID 136908341 is c1ccc(COCCC[Si](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 136908341?
The InChIKey is PPWCQPOVBSEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23OSi/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16H,10,17-19H2.
What are the key properties of CID 136908341?
CID 136908341 has a molecular weight of 331.51 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136908341 is sourced from PubChem (CID 136908341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).