CID 59854080

C5H12OSi — CID 59854080

IUPAC—
SMILESCCCOC[Si]C
InChIInChI=1S/C5H12OSi/c1-3-4-6-5-7-2/h3-5H2,1-2H3
InChIKeySGJVQGWHACSSHI-UHFFFAOYSA-N
MW116.24 g/mol
LogP1.12
Rot. Bonds4

About CID 59854080

CID 59854080 (PubChem CID 59854080) has the molecular formula C5H12OSi and a molecular weight of 116.24 g/mol.

Molecular Properties

Compound NameCID 59854080
PubChem CID59854080
Molecular FormulaC5H12OSi
Molecular Weight116.24 g/mol
Exact Mass116.07
IUPAC Name—
SMILESCCCOC[Si]C
InChIInChI=1S/C5H12OSi/c1-3-4-6-5-7-2/h3-5H2,1-2H3
InChIKeySGJVQGWHACSSHI-UHFFFAOYSA-N
XLogP1.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.24
LogP ≤ 51.12
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'}

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Related Compounds

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CID 57098633
CID 57098633
1-(propoxymethylsulfanylmethoxy)propane
CID 151305638
methane;1-propoxybutane
CID 162202436
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615

Frequently Asked Questions

What is the IUPAC name of CID 59854080?
The IUPAC name of CID 59854080 (CID 59854080) is not available.
What is the SMILES notation for CID 59854080?
The canonical SMILES for CID 59854080 is CCCOC[Si]C.
What is the InChIKey of CID 59854080?
The InChIKey is SGJVQGWHACSSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OSi/c1-3-4-6-5-7-2/h3-5H2,1-2H3.
What are the key properties of CID 59854080?
CID 59854080 has a molecular weight of 116.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59854080 is sourced from PubChem (CID 59854080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).