3-propyl-3-silyloxolane-2,5-dione

C7H12O3Si — CID 157396768

IUPAC3-propyl-3-silyloxolane-2,5-dione
SMILESCCCC1([SiH3])CC(=O)OC1=O
InChIInChI=1S/C7H12O3Si/c1-2-3-7(11)4-5(8)10-6(7)9/h2-4H2,1,11H3
InChIKeyBMQWBTJLZIDNPY-UHFFFAOYSA-N
MW172.26 g/mol
LogP-0.22
Rot. Bonds2

About 3-propyl-3-silyloxolane-2,5-dione

3-propyl-3-silyloxolane-2,5-dione (PubChem CID 157396768) has the molecular formula C7H12O3Si and a molecular weight of 172.26 g/mol. Its IUPAC name is 3-propyl-3-silyloxolane-2,5-dione.

Molecular Properties

Compound Name3-propyl-3-silyloxolane-2,5-dione
PubChem CID157396768
Molecular FormulaC7H12O3Si
Molecular Weight172.26 g/mol
Exact Mass172.06
IUPAC Name3-propyl-3-silyloxolane-2,5-dione
SMILESCCCC1([SiH3])CC(=O)OC1=O
InChIInChI=1S/C7H12O3Si/c1-2-3-7(11)4-5(8)10-6(7)9/h2-4H2,1,11H3
InChIKeyBMQWBTJLZIDNPY-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
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-methyl-3-propyloxolane-2,5-dione
CID 43134896
3-propyl-3-trimethoxysilyloxolane-2,5-dione
CID 140683995
3-methyl-3-undecyloxolane-2,5-dione
CID 139886966
3-phenyl-3-propyloxolane-2,5-dione
CID 43134890
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3-hexadecyl-3-hydroxy-1,6-dioxecane-2,5,7,10-tetrone
CID 139778449
3-[(E)-hex-2-enyl]-3-hydroxy-1,6-dioxecane-2,5,7,10-tetrone
CID 139778448
3-but-1-en-2-yl-3-hydroxyoxolane-2,5-dione
CID 174906908
3-(methoxymethyl)-3-methyloxolane-2,5-dione
CID 62535448
3a-propyl-3,4-dihydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,5-dione
CID 143477465
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
3,4-dimethyloxolane-2,5-dione;3-ethyl-3-methyloxolane-2,5-dione
CID 158754537

Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-silyloxolane-2,5-dione?
The IUPAC name of 3-propyl-3-silyloxolane-2,5-dione (CID 157396768) is 3-propyl-3-silyloxolane-2,5-dione.
What is the SMILES notation for 3-propyl-3-silyloxolane-2,5-dione?
The canonical SMILES for 3-propyl-3-silyloxolane-2,5-dione is CCCC1([SiH3])CC(=O)OC1=O.
What is the InChIKey of 3-propyl-3-silyloxolane-2,5-dione?
The InChIKey is BMQWBTJLZIDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3Si/c1-2-3-7(11)4-5(8)10-6(7)9/h2-4H2,1,11H3.
What are the key properties of 3-propyl-3-silyloxolane-2,5-dione?
3-propyl-3-silyloxolane-2,5-dione has a molecular weight of 172.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-silyloxolane-2,5-dione is sourced from PubChem (CID 157396768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).