[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate

C10H20O5Si — CID 141155203

IUPAC[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](C)CC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-10(11)15-9(2)7-8-16(12-3,13-4)14-5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyPFWRHNFNTNMKPC-SECBINFHSA-N
MW248.35 g/mol
LogP1.37
Rot. Bonds8

About [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate

[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate (PubChem CID 141155203) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
PubChem CID141155203
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
SMILESC=CC(=O)O[C@H](C)CC[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-10(11)15-9(2)7-8-16(12-3,13-4)14-5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyPFWRHNFNTNMKPC-SECBINFHSA-N
XLogP1.37
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
5-methylhexan-2-yl prop-2-enoate
CID 151222941
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
4-[methyl(dipropoxy)silyl]butan-2-yl prop-2-enoate
CID 174739183
4-prop-2-enoyloxypentanoic acid
CID 87568780
5-oxohept-6-en-2-yl prop-2-enoate
CID 23534043
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate?
The IUPAC name of [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate (CID 141155203) is [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate.
What is the SMILES notation for [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate?
The canonical SMILES for [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate is C=CC(=O)O[C@H](C)CC[Si](OC)(OC)OC.
What is the InChIKey of [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate?
The InChIKey is PFWRHNFNTNMKPC-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-6-10(11)15-9(2)7-8-16(12-3,13-4)14-5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1.
What are the key properties of [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate?
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate has a molecular weight of 248.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate is sourced from PubChem (CID 141155203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).