1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate

C14H28O3Si — CID 175454152

IUPAC1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)O[SiH](CC(C)C)CC(C)C
InChIInChI=1S/C14H28O3Si/c1-7-13(15)16-14(8-2)17-18(9-11(3)4)10-12(5)6/h7,11-12,14,18H,1,8-10H2,2-6H3
InChIKeyFJCQUKGLIYWNTD-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.50
Rot. Bonds9

About 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate

1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate (PubChem CID 175454152) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate
PubChem CID175454152
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate
SMILESC=CC(=O)OC(CC)O[SiH](CC(C)C)CC(C)C
InChIInChI=1S/C14H28O3Si/c1-7-13(15)16-14(8-2)17-18(9-11(3)4)10-12(5)6/h7,11-12,14,18H,1,8-10H2,2-6H3
InChIKeyFJCQUKGLIYWNTD-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 172734708
CID 172734708
1-dimethoxysilylpropan-2-yl prop-2-enoate
CID 152752874
1-prop-2-enoyloxypropyl but-2-enoate
CID 141048851
azane;4-oxo-4-(1-prop-2-enoyloxypropoxy)but-2-enoic acid
CID 173170823
1-di(propan-2-yloxy)silylsilylpropyl prop-2-enoate
CID 174992598
5-methylhexan-2-yl prop-2-enoate
CID 151222941
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
1-aminopropyl prop-2-enoate;butane
CID 87190109
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
1-tris(prop-1-en-2-yloxy)silyloxypropyl prop-2-enoate
CID 18477240
diethyl-(3-hydroxypropyl)-(1-prop-2-enoyloxyethyl)azanium chloride
CID 87383107
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate?
The IUPAC name of 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate (CID 175454152) is 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate.
What is the SMILES notation for 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate?
The canonical SMILES for 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate is C=CC(=O)OC(CC)O[SiH](CC(C)C)CC(C)C.
What is the InChIKey of 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate?
The InChIKey is FJCQUKGLIYWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-13(15)16-14(8-2)17-18(9-11(3)4)10-12(5)6/h7,11-12,14,18H,1,8-10H2,2-6H3.
What are the key properties of 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate?
1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)silyloxy]propyl prop-2-enoate is sourced from PubChem (CID 175454152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).