3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate

C12H22O3Si — CID 123433393

IUPAC3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C12H22O3Si/c1-3-11(13)14-9-6-10-16(2)12-7-4-5-8-15-12/h3,12,16H,1,4-10H2,2H3
InChIKeyPUYVSTUUPASLNQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.07
Rot. Bonds6

About 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate

3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate (PubChem CID 123433393) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
PubChem CID123433393
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[SiH](C)C1CCCCO1
InChIInChI=1S/C12H22O3Si/c1-3-11(13)14-9-6-10-16(2)12-7-4-5-8-15-12/h3,12,16H,1,4-10H2,2H3
InChIKeyPUYVSTUUPASLNQ-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078
4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
3-[methyl(silyl)silyl]propyl prop-2-enoate
CID 154347322
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
CID 70560531
3-diethoxysilylpropyl prop-2-enoate
CID 123313393
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
12-hydroxydodecyl prop-2-enoate
CID 19859974

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate?
The IUPAC name of 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate (CID 123433393) is 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate?
The canonical SMILES for 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate is C=CC(=O)OCCC[SiH](C)C1CCCCO1.
What is the InChIKey of 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate?
The InChIKey is PUYVSTUUPASLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-3-11(13)14-9-6-10-16(2)12-7-4-5-8-15-12/h3,12,16H,1,4-10H2,2H3.
What are the key properties of 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate?
3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate has a molecular weight of 242.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate is sourced from PubChem (CID 123433393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).