CID 136849323

C22H46OSi — CID 136849323

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCCO[Si]C
InChIInChI=1S/C22H46OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-22H2,1-2H3
InChIKeyVCPOUUZHMZYMEY-UHFFFAOYSA-N
MW354.70 g/mol
LogP8.10
Rot. Bonds21

About CID 136849323

CID 136849323 (PubChem CID 136849323) has the molecular formula C22H46OSi and a molecular weight of 354.70 g/mol.

Molecular Properties

Compound NameCID 136849323
PubChem CID136849323
Molecular FormulaC22H46OSi
Molecular Weight354.70 g/mol
Exact Mass354.33
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCCO[Si]C
InChIInChI=1S/C22H46OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-22H2,1-2H3
InChIKeyVCPOUUZHMZYMEY-UHFFFAOYSA-N
XLogP8.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 58.10
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

dodecylmercury;hydrate
CID 78070234
CID 136849292
CID 136849292
CID 136849245
CID 136849245
CID 136849296
CID 136849296
heptane;hydrate
CID 57468513
decane;ruthenium
CID 160818595
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769

Frequently Asked Questions

What is the IUPAC name of CID 136849323?
The IUPAC name of CID 136849323 (CID 136849323) is not available.
What is the SMILES notation for CID 136849323?
The canonical SMILES for CID 136849323 is CCCCCCCCCCCCCCCCCCCCCO[Si]C.
What is the InChIKey of CID 136849323?
The InChIKey is VCPOUUZHMZYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46OSi/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h3-22H2,1-2H3.
What are the key properties of CID 136849323?
CID 136849323 has a molecular weight of 354.70 g/mol, XLogP of 8.10, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136849323 is sourced from PubChem (CID 136849323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).