CID 22229034

C8H17OSi — CID 22229034

IUPAC
SMILESC=CCCCCO[Si](C)C
InChIInChI=1S/C8H17OSi/c1-4-5-6-7-8-9-10(2)3/h4H,1,5-8H2,2-3H3
InChIKeyBPUHMQXTBQIRGO-UHFFFAOYSA-N
MW157.31 g/mol
LogP2.61
Rot. Bonds6

About CID 22229034

CID 22229034 (PubChem CID 22229034) has the molecular formula C8H17OSi and a molecular weight of 157.31 g/mol.

Molecular Properties

Compound NameCID 22229034
PubChem CID22229034
Molecular FormulaC8H17OSi
Molecular Weight157.31 g/mol
Exact Mass157.10
IUPAC Name
SMILESC=CCCCCO[Si](C)C
InChIInChI=1S/C8H17OSi/c1-4-5-6-7-8-9-10(2)3/h4H,1,5-8H2,2-3H3
InChIKeyBPUHMQXTBQIRGO-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.31
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of CID 22229034?
The IUPAC name of CID 22229034 (CID 22229034) is not available.
What is the SMILES notation for CID 22229034?
The canonical SMILES for CID 22229034 is C=CCCCCO[Si](C)C.
What is the InChIKey of CID 22229034?
The InChIKey is BPUHMQXTBQIRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17OSi/c1-4-5-6-7-8-9-10(2)3/h4H,1,5-8H2,2-3H3.
What are the key properties of CID 22229034?
CID 22229034 has a molecular weight of 157.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22229034 is sourced from PubChem (CID 22229034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).