1-dimethylsilyloxybutan-2-yl prop-2-enoate

C9H18O3Si — CID 173371383

IUPAC1-dimethylsilyloxybutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CO[SiH](C)C
InChIInChI=1S/C9H18O3Si/c1-5-8(7-11-13(3)4)12-9(10)6-2/h6,8,13H,2,5,7H2,1,3-4H3
InChIKeyVOOQELVARDCCIT-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.49
Rot. Bonds6

About 1-dimethylsilyloxybutan-2-yl prop-2-enoate

1-dimethylsilyloxybutan-2-yl prop-2-enoate (PubChem CID 173371383) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is 1-dimethylsilyloxybutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-dimethylsilyloxybutan-2-yl prop-2-enoate
PubChem CID173371383
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name1-dimethylsilyloxybutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CO[SiH](C)C
InChIInChI=1S/C9H18O3Si/c1-5-8(7-11-13(3)4)12-9(10)6-2/h6,8,13H,2,5,7H2,1,3-4H3
InChIKeyVOOQELVARDCCIT-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-dibutoxysilyloxybutan-2-yl prop-2-enoate
CID 175242964
4-oxo-4-(2-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 91078384
1-cyanobutan-2-yl prop-2-enoate
CID 57224639
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
1-(oxiran-2-ylmethoxy)butan-2-yl prop-2-enoate
CID 138707568
1-tris(trimethylsilyloxy)silylbutan-2-yl prop-2-enoate
CID 18949618
dodecan-3-yl prop-2-enoate
CID 543279
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
7-hydroxyoctan-3-yl prop-2-enoate
CID 88696843
ethanol;octan-3-yl prop-2-enoate
CID 158914224
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010

Frequently Asked Questions

What is the IUPAC name of 1-dimethylsilyloxybutan-2-yl prop-2-enoate?
The IUPAC name of 1-dimethylsilyloxybutan-2-yl prop-2-enoate (CID 173371383) is 1-dimethylsilyloxybutan-2-yl prop-2-enoate.
What is the SMILES notation for 1-dimethylsilyloxybutan-2-yl prop-2-enoate?
The canonical SMILES for 1-dimethylsilyloxybutan-2-yl prop-2-enoate is C=CC(=O)OC(CC)CO[SiH](C)C.
What is the InChIKey of 1-dimethylsilyloxybutan-2-yl prop-2-enoate?
The InChIKey is VOOQELVARDCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-8(7-11-13(3)4)12-9(10)6-2/h6,8,13H,2,5,7H2,1,3-4H3.
What are the key properties of 1-dimethylsilyloxybutan-2-yl prop-2-enoate?
1-dimethylsilyloxybutan-2-yl prop-2-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylsilyloxybutan-2-yl prop-2-enoate is sourced from PubChem (CID 173371383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).