CID 58473322

C9H18O3Si — CID 58473322

IUPAC—
SMILESC=CC(OOCCCC)[Si]OCC
InChIInChI=1S/C9H18O3Si/c1-4-7-8-10-12-9(5-2)13-11-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyGSKYMHGVXPGROY-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.90
Rot. Bonds9

About CID 58473322

CID 58473322 (PubChem CID 58473322) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol.

Molecular Properties

Compound NameCID 58473322
PubChem CID58473322
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name—
SMILESC=CC(OOCCCC)[Si]OCC
InChIInChI=1S/C9H18O3Si/c1-4-7-8-10-12-9(5-2)13-11-6-3/h5,9H,2,4,6-8H2,1,3H3
InChIKeyGSKYMHGVXPGROY-UHFFFAOYSA-N
XLogP1.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(1-butylperoxyprop-2-enyl) carbonate
CID 87756417
2-butylperoxypropane-1,3-diol
CID 87926197
1-butylperoxybutane
CID 159275797
1-butylperoxybutane;hydrate
CID 158567350
1-butylperoxy-2-methylpropan-1-ol
CID 87410988
1-butylperoxybutane;hydrogen peroxide
CID 162033267
1-butylperoxy-1-hydroperoxybutane
CID 174403349
1-butylperoxybutane;cyclooctane
CID 140991302
1-ethenylperoxyoctane
CID 71433457
CID 136913537
CID 136913537
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
buta-1,3-diene;1-pentoxypentane
CID 87924219

Frequently Asked Questions

What is the IUPAC name of CID 58473322?
The IUPAC name of CID 58473322 (CID 58473322) is not available.
What is the SMILES notation for CID 58473322?
The canonical SMILES for CID 58473322 is C=CC(OOCCCC)[Si]OCC.
What is the InChIKey of CID 58473322?
The InChIKey is GSKYMHGVXPGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-4-7-8-10-12-9(5-2)13-11-6-3/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of CID 58473322?
CID 58473322 has a molecular weight of 202.33 g/mol, XLogP of 1.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58473322 is sourced from PubChem (CID 58473322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).