CID 156803728

C9H17O2Si — CID 156803728

IUPAC—
SMILESCO[Si](OC)C(C1CC1)C1CC1
InChIInChI=1S/C9H17O2Si/c1-10-12(11-2)9(7-3-4-7)8-5-6-8/h7-9H,3-6H2,1-2H3
InChIKeyMZQOXUKCVNZVQS-UHFFFAOYSA-N
MW185.32 g/mol
LogP1.96
Rot. Bonds5

About CID 156803728

CID 156803728 (PubChem CID 156803728) has the molecular formula C9H17O2Si and a molecular weight of 185.32 g/mol.

Molecular Properties

Compound NameCID 156803728
PubChem CID156803728
Molecular FormulaC9H17O2Si
Molecular Weight185.32 g/mol
Exact Mass185.10
IUPAC Name—
SMILESCO[Si](OC)C(C1CC1)C1CC1
InChIInChI=1S/C9H17O2Si/c1-10-12(11-2)9(7-3-4-7)8-5-6-8/h7-9H,3-6H2,1-2H3
InChIKeyMZQOXUKCVNZVQS-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 156803728?
The IUPAC name of CID 156803728 (CID 156803728) is not available.
What is the SMILES notation for CID 156803728?
The canonical SMILES for CID 156803728 is CO[Si](OC)C(C1CC1)C1CC1.
What is the InChIKey of CID 156803728?
The InChIKey is MZQOXUKCVNZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2Si/c1-10-12(11-2)9(7-3-4-7)8-5-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of CID 156803728?
CID 156803728 has a molecular weight of 185.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156803728 is sourced from PubChem (CID 156803728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).