3-(1-silylpropyl)oxolane-2,5-dione

C7H12O3Si — CID 173422066

IUPAC3-(1-silylpropyl)oxolane-2,5-dione
SMILESCCC([SiH3])C1CC(=O)OC1=O
InChIInChI=1S/C7H12O3Si/c1-2-5(11)4-3-6(8)10-7(4)9/h4-5H,2-3H2,1,11H3
InChIKeyNXNFZHRYWOJOQO-UHFFFAOYSA-N
MW172.26 g/mol
LogP-0.36
Rot. Bonds2

About 3-(1-silylpropyl)oxolane-2,5-dione

3-(1-silylpropyl)oxolane-2,5-dione (PubChem CID 173422066) has the molecular formula C7H12O3Si and a molecular weight of 172.26 g/mol. Its IUPAC name is 3-(1-silylpropyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(1-silylpropyl)oxolane-2,5-dione
PubChem CID173422066
Molecular FormulaC7H12O3Si
Molecular Weight172.26 g/mol
Exact Mass172.06
IUPAC Name3-(1-silylpropyl)oxolane-2,5-dione
SMILESCCC([SiH3])C1CC(=O)OC1=O
InChIInChI=1S/C7H12O3Si/c1-2-5(11)4-3-6(8)10-7(4)9/h4-5H,2-3H2,1,11H3
InChIKeyNXNFZHRYWOJOQO-UHFFFAOYSA-N
XLogP-0.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-hept-4-en-3-yl]oxolane-2,5-dione
CID 22979801
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
3-octadecan-8-yloxolane-2,5-dione
CID 150546786
3-octadecan-2-yloxolane-2,5-dione
CID 86037827
3-hexadecan-4-yloxolane-2,5-dione
CID 152596663
methane;3-(3-methylheptan-2-yl)oxolane-2,5-dione
CID 159205301
3-(1,2,3-trihydroxypropyl)oxolane-2,5-dione
CID 139795813
3-hept-1-en-3-yloxolane-2,5-dione;3-hex-1-en-3-yloxolane-2,5-dione
CID 157064477
3-(3,3-difluorobutan-2-yl)oxolane-2,5-dione
CID 121369308
3-tridec-8-en-6-yloxolane-2,5-dione
CID 88684953
ethane;3-propyloxolane-2,5-dione
CID 143734634
3-(3-ethylhexyl)oxolane-2,5-dione
CID 151871204

Frequently Asked Questions

What is the IUPAC name of 3-(1-silylpropyl)oxolane-2,5-dione?
The IUPAC name of 3-(1-silylpropyl)oxolane-2,5-dione (CID 173422066) is 3-(1-silylpropyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(1-silylpropyl)oxolane-2,5-dione?
The canonical SMILES for 3-(1-silylpropyl)oxolane-2,5-dione is CCC([SiH3])C1CC(=O)OC1=O.
What is the InChIKey of 3-(1-silylpropyl)oxolane-2,5-dione?
The InChIKey is NXNFZHRYWOJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3Si/c1-2-5(11)4-3-6(8)10-7(4)9/h4-5H,2-3H2,1,11H3.
What are the key properties of 3-(1-silylpropyl)oxolane-2,5-dione?
3-(1-silylpropyl)oxolane-2,5-dione has a molecular weight of 172.26 g/mol, XLogP of -0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-silylpropyl)oxolane-2,5-dione is sourced from PubChem (CID 173422066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).