butyl 2-(trimethylsilylmethyl)prop-2-enoate

C11H22O2Si — CID 87213059

IUPACbutyl 2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C(C[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyFLRZAXRSXXLINY-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.22
Rot. Bonds6

About butyl 2-(trimethylsilylmethyl)prop-2-enoate

butyl 2-(trimethylsilylmethyl)prop-2-enoate (PubChem CID 87213059) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is butyl 2-(trimethylsilylmethyl)prop-2-enoate.

Molecular Properties

Compound Namebutyl 2-(trimethylsilylmethyl)prop-2-enoate
PubChem CID87213059
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Namebutyl 2-(trimethylsilylmethyl)prop-2-enoate
SMILESC=C(C[Si](C)(C)C)C(=O)OCCCC
InChIInChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3
InChIKeyFLRZAXRSXXLINY-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

butyl 2-methylideneoctanoate
CID 23364330
2-butoxycarbonylprop-2-enoic acid
CID 18618552
butyl 2-hydroxyprop-2-enoate
CID 18317140
pentyl 2-(hydroxymethyl)prop-2-enoate
CID 54519324
hexyl 2-methylidenebutanoate;2-methylprop-1-ene
CID 88842326
dioctyl 2,3-dimethylidenebutanedioate
CID 140613144
butyl 2-methylprop-2-enoate;methane
CID 159646333
1-O-decyl 4-O-octyl 2,3-dimethylidenebutanedioate
CID 139708320
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260

Frequently Asked Questions

What is the IUPAC name of butyl 2-(trimethylsilylmethyl)prop-2-enoate?
The IUPAC name of butyl 2-(trimethylsilylmethyl)prop-2-enoate (CID 87213059) is butyl 2-(trimethylsilylmethyl)prop-2-enoate.
What is the SMILES notation for butyl 2-(trimethylsilylmethyl)prop-2-enoate?
The canonical SMILES for butyl 2-(trimethylsilylmethyl)prop-2-enoate is C=C(C[Si](C)(C)C)C(=O)OCCCC.
What is the InChIKey of butyl 2-(trimethylsilylmethyl)prop-2-enoate?
The InChIKey is FLRZAXRSXXLINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-7-8-13-11(12)10(2)9-14(3,4)5/h2,6-9H2,1,3-5H3.
What are the key properties of butyl 2-(trimethylsilylmethyl)prop-2-enoate?
butyl 2-(trimethylsilylmethyl)prop-2-enoate has a molecular weight of 214.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(trimethylsilylmethyl)prop-2-enoate is sourced from PubChem (CID 87213059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).