(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate

C10H18O2Si — CID 23272992

IUPAC(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate
SMILESCC[Si]1(CC)C=CC(OC(C)=O)C1
InChIInChI=1S/C10H18O2Si/c1-4-13(5-2)7-6-10(8-13)12-9(3)11/h6-7,10H,4-5,8H2,1-3H3
InChIKeyAXSOXAUKEZNEQQ-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.52
Rot. Bonds3

About (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate

(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate (PubChem CID 23272992) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate.

Molecular Properties

Compound Name(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate
PubChem CID23272992
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate
SMILESCC[Si]1(CC)C=CC(OC(C)=O)C1
InChIInChI=1S/C10H18O2Si/c1-4-13(5-2)7-6-10(8-13)12-9(3)11/h6-7,10H,4-5,8H2,1-3H3
InChIKeyAXSOXAUKEZNEQQ-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.52
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

2-Propen-1-ol, 2-(trimethylsilyl)methyl-, acetate
CID 552360
[(E)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 10774833
alpha-(Trimethylsilyl)allyl acetate
CID 11845536
Prop-2-enyl 2-trimethylsilylacetate
CID 19990685
Prop-2-enyl 3-trimethylsilylpropanoate
CID 21932104
[(E)-3-trimethylsilylprop-2-enyl] acetate
CID 10855968
[(E,2R)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11148513
[(E,2S)-6-trimethylsilylhex-3-en-5-yn-2-yl] acetate
CID 11206603
(3-Methyl-1-trimethylsilylbut-3-en-2-yl) acetate
CID 14190138
[(E)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715792
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] acetate
CID 14715793
[(E,2R)-4-trimethylsilylbut-3-en-2-yl] 2-methoxyacetate
CID 14715813

Frequently Asked Questions

What is the IUPAC name of (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate?
The IUPAC name of (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate (CID 23272992) is (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate.
What is the SMILES notation for (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate?
The canonical SMILES for (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate is CC[Si]1(CC)C=CC(OC(C)=O)C1.
What is the InChIKey of (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate?
The InChIKey is AXSOXAUKEZNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-4-13(5-2)7-6-10(8-13)12-9(3)11/h6-7,10H,4-5,8H2,1-3H3.
What are the key properties of (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate?
(1,1-diethyl-2,3-dihydrosilol-3-yl) acetate has a molecular weight of 198.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethyl-2,3-dihydrosilol-3-yl) acetate is sourced from PubChem (CID 23272992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).