ethyl 2-(1,1-dimethylsilolan-3-yl)acetate

C10H20O2Si — CID 12538827

IUPACethyl 2-(1,1-dimethylsilolan-3-yl)acetate
SMILESCCOC(=O)CC1CC[Si](C)(C)C1
InChIInChI=1S/C10H20O2Si/c1-4-12-10(11)7-9-5-6-13(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyNFDMGUMNWMCTBA-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.67
Rot. Bonds3

About ethyl 2-(1,1-dimethylsilolan-3-yl)acetate

ethyl 2-(1,1-dimethylsilolan-3-yl)acetate (PubChem CID 12538827) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is ethyl 2-(1,1-dimethylsilolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,1-dimethylsilolan-3-yl)acetate
PubChem CID12538827
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nameethyl 2-(1,1-dimethylsilolan-3-yl)acetate
SMILESCCOC(=O)CC1CC[Si](C)(C)C1
InChIInChI=1S/C10H20O2Si/c1-4-12-10(11)7-9-5-6-13(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyNFDMGUMNWMCTBA-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-(4-prop-2-enylcyclohexyl)acetate
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ethyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate;ethyl 2-[(1S,3S)-3-hydroxycyclohexyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,1-dimethylsilolan-3-yl)acetate?
The IUPAC name of ethyl 2-(1,1-dimethylsilolan-3-yl)acetate (CID 12538827) is ethyl 2-(1,1-dimethylsilolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,1-dimethylsilolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,1-dimethylsilolan-3-yl)acetate is CCOC(=O)CC1CC[Si](C)(C)C1.
What is the InChIKey of ethyl 2-(1,1-dimethylsilolan-3-yl)acetate?
The InChIKey is NFDMGUMNWMCTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-4-12-10(11)7-9-5-6-13(2,3)8-9/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(1,1-dimethylsilolan-3-yl)acetate?
ethyl 2-(1,1-dimethylsilolan-3-yl)acetate has a molecular weight of 200.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1-dimethylsilolan-3-yl)acetate is sourced from PubChem (CID 12538827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).