CID 58083820

C9H17OSi — CID 58083820

IUPAC—
SMILESC[Si](C)CC1CCC(C=O)C1
InChIInChI=1S/C9H17OSi/c1-11(2)7-9-4-3-8(5-9)6-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyZJIOTSCFINHEIN-UHFFFAOYSA-N
MW169.32 g/mol
LogP2.36
Rot. Bonds3

About CID 58083820

CID 58083820 (PubChem CID 58083820) has the molecular formula C9H17OSi and a molecular weight of 169.32 g/mol.

Molecular Properties

Compound NameCID 58083820
PubChem CID58083820
Molecular FormulaC9H17OSi
Molecular Weight169.32 g/mol
Exact Mass169.10
IUPAC Name—
SMILESC[Si](C)CC1CCC(C=O)C1
InChIInChI=1S/C9H17OSi/c1-11(2)7-9-4-3-8(5-9)6-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyZJIOTSCFINHEIN-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58083820?
The IUPAC name of CID 58083820 (CID 58083820) is not available.
What is the SMILES notation for CID 58083820?
The canonical SMILES for CID 58083820 is C[Si](C)CC1CCC(C=O)C1.
What is the InChIKey of CID 58083820?
The InChIKey is ZJIOTSCFINHEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17OSi/c1-11(2)7-9-4-3-8(5-9)6-10/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of CID 58083820?
CID 58083820 has a molecular weight of 169.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58083820 is sourced from PubChem (CID 58083820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).