CID 54443058

C17H28O2Si — CID 54443058

IUPAC—
SMILESCCCCC[Si]c1cccc(CCCO)c1CCCO
InChIInChI=1S/C17H28O2Si/c1-2-3-4-14-20-17-11-5-8-15(9-6-12-18)16(17)10-7-13-19/h5,8,11,18-19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyYXUWGCXHDHOEAQ-UHFFFAOYSA-N
MW292.50 g/mol
LogP2.47
Rot. Bonds11

About CID 54443058

CID 54443058 (PubChem CID 54443058) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol.

Molecular Properties

Compound NameCID 54443058
PubChem CID54443058
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name—
SMILESCCCCC[Si]c1cccc(CCCO)c1CCCO
InChIInChI=1S/C17H28O2Si/c1-2-3-4-14-20-17-11-5-8-15(9-6-12-18)16(17)10-7-13-19/h5,8,11,18-19H,2-4,6-7,9-10,12-14H2,1H3
InChIKeyYXUWGCXHDHOEAQ-UHFFFAOYSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of CID 54443058?
The IUPAC name of CID 54443058 (CID 54443058) is not available.
What is the SMILES notation for CID 54443058?
The canonical SMILES for CID 54443058 is CCCCC[Si]c1cccc(CCCO)c1CCCO.
What is the InChIKey of CID 54443058?
The InChIKey is YXUWGCXHDHOEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-2-3-4-14-20-17-11-5-8-15(9-6-12-18)16(17)10-7-13-19/h5,8,11,18-19H,2-4,6-7,9-10,12-14H2,1H3.
What are the key properties of CID 54443058?
CID 54443058 has a molecular weight of 292.50 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54443058 is sourced from PubChem (CID 54443058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).