CID 22041968

C9H18OSi — CID 22041968

IUPAC—
SMILESC1CCCC1.C1CC[Si]OC1
InChIInChI=1S/C5H10.C4H8OSi/c1-2-4-5-3-1;1-2-4-6-5-3-1/h1-5H2;1-4H2
InChIKeyFURLOFCYHJGVLQ-UHFFFAOYSA-N
MW170.33 g/mol
LogP2.78
Rot. Bonds

About CID 22041968

CID 22041968 (PubChem CID 22041968) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol.

Molecular Properties

Compound NameCID 22041968
PubChem CID22041968
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name—
SMILESC1CCCC1.C1CC[Si]OC1
InChIInChI=1S/C5H10.C4H8OSi/c1-2-4-5-3-1;1-2-4-6-5-3-1/h1-5H2;1-4H2
InChIKeyFURLOFCYHJGVLQ-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22041968?
The IUPAC name of CID 22041968 (CID 22041968) is not available.
What is the SMILES notation for CID 22041968?
The canonical SMILES for CID 22041968 is C1CCCC1.C1CC[Si]OC1.
What is the InChIKey of CID 22041968?
The InChIKey is FURLOFCYHJGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H8OSi/c1-2-4-5-3-1;1-2-4-6-5-3-1/h1-5H2;1-4H2.
What are the key properties of CID 22041968?
CID 22041968 has a molecular weight of 170.33 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22041968 is sourced from PubChem (CID 22041968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).