4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate

C13H26O4Si — CID 151879841

IUPAC4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-13(14)15-12(6)8-9-18(16-10(2)3)17-11(4)5/h7,10-12,18H,1,8-9H2,2-6H3
InChIKeySOMCKIDPZXIXES-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.56
Rot. Bonds9

About 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate

4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate (PubChem CID 151879841) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate.

Molecular Properties

Compound Name4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
PubChem CID151879841
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CC[SiH](OC(C)C)OC(C)C
InChIInChI=1S/C13H26O4Si/c1-7-13(14)15-12(6)8-9-18(16-10(2)3)17-11(4)5/h7,10-12,18H,1,8-9H2,2-6H3
InChIKeySOMCKIDPZXIXES-UHFFFAOYSA-N
XLogP2.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
1-dimethoxysilylpropan-2-yl prop-2-enoate
CID 152752874
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
CID 172734708
CID 172734708
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
2-methylidene-5-prop-2-enoyloxyhexanoic acid
CID 87125113

Frequently Asked Questions

What is the IUPAC name of 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate?
The IUPAC name of 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate (CID 151879841) is 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate.
What is the SMILES notation for 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate?
The canonical SMILES for 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate is C=CC(=O)OC(C)CC[SiH](OC(C)C)OC(C)C.
What is the InChIKey of 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate?
The InChIKey is SOMCKIDPZXIXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-7-13(14)15-12(6)8-9-18(16-10(2)3)17-11(4)5/h7,10-12,18H,1,8-9H2,2-6H3.
What are the key properties of 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate?
4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate has a molecular weight of 274.43 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-di(propan-2-yloxy)silylbutan-2-yl prop-2-enoate is sourced from PubChem (CID 151879841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).