CID 22902844

C8H16O4Si — CID 22902844

IUPAC—
SMILESCCC(OC(C)=O)[Si]C(OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-7(12-6(2)9)13-8(10-3)11-4/h7-8H,5H2,1-4H3
InChIKeyALDLKTGIMPHPCZ-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.57
Rot. Bonds6

About CID 22902844

CID 22902844 (PubChem CID 22902844) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol.

Molecular Properties

Compound NameCID 22902844
PubChem CID22902844
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name—
SMILESCCC(OC(C)=O)[Si]C(OC)OC
InChIInChI=1S/C8H16O4Si/c1-5-7(12-6(2)9)13-8(10-3)11-4/h7-8H,5H2,1-4H3
InChIKeyALDLKTGIMPHPCZ-UHFFFAOYSA-N
XLogP0.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 87143951
CID 87143851
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1-chlorobutan-2-yl acetate
CID 12575174
1-methoxypentyl acetate
CID 18000534
(1-acetyloxy-2-ethylpent-2-enyl) acetate
CID 123713583
propane;propan-2-yl acetate
CID 23325886
2-acetyloxybutanoic acid
CID 13327294
[(3S)-2-methylpent-1-en-3-yl] acetate
CID 129390449
1-acetyloxypropyl propanoate
CID 141272286

Frequently Asked Questions

What is the IUPAC name of CID 22902844?
The IUPAC name of CID 22902844 (CID 22902844) is not available.
What is the SMILES notation for CID 22902844?
The canonical SMILES for CID 22902844 is CCC(OC(C)=O)[Si]C(OC)OC.
What is the InChIKey of CID 22902844?
The InChIKey is ALDLKTGIMPHPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-5-7(12-6(2)9)13-8(10-3)11-4/h7-8H,5H2,1-4H3.
What are the key properties of CID 22902844?
CID 22902844 has a molecular weight of 204.30 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22902844 is sourced from PubChem (CID 22902844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).