2-methylpropylsilyl prop-2-enoate

C7H14O2Si — CID 123153275

IUPAC2-methylpropylsilyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]CC(C)C
InChIInChI=1S/C7H14O2Si/c1-4-7(8)9-10-5-6(2)3/h4,6H,1,5,10H2,2-3H3
InChIKeyPEHGWSWPDACZEK-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.87
Rot. Bonds4

About 2-methylpropylsilyl prop-2-enoate

2-methylpropylsilyl prop-2-enoate (PubChem CID 123153275) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methylpropylsilyl prop-2-enoate.

Molecular Properties

Compound Name2-methylpropylsilyl prop-2-enoate
PubChem CID123153275
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-methylpropylsilyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]CC(C)C
InChIInChI=1S/C7H14O2Si/c1-4-7(8)9-10-5-6(2)3/h4,6H,1,5,10H2,2-3H3
InChIKeyPEHGWSWPDACZEK-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(19-methyl-18-propan-2-ylicosyl)silyl prop-2-enoate
CID 154509231
5-methylhexan-2-yl prop-2-enoate
CID 151222941
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
CID 145309283
dimethylamino prop-2-enoate
CID 20697927
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
4-methylpent-1-enyl prop-2-enoate
CID 141310701
(4-methyl-2-oxopentyl) prop-2-enoate
CID 58048888
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
azane;dimethylamino prop-2-enoate
CID 162313992
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
4,4,6,6,8-pentamethylnonan-2-yl prop-2-enoate
CID 57276190

Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsilyl prop-2-enoate?
The IUPAC name of 2-methylpropylsilyl prop-2-enoate (CID 123153275) is 2-methylpropylsilyl prop-2-enoate.
What is the SMILES notation for 2-methylpropylsilyl prop-2-enoate?
The canonical SMILES for 2-methylpropylsilyl prop-2-enoate is C=CC(=O)O[SiH2]CC(C)C.
What is the InChIKey of 2-methylpropylsilyl prop-2-enoate?
The InChIKey is PEHGWSWPDACZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-4-7(8)9-10-5-6(2)3/h4,6H,1,5,10H2,2-3H3.
What are the key properties of 2-methylpropylsilyl prop-2-enoate?
2-methylpropylsilyl prop-2-enoate has a molecular weight of 158.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsilyl prop-2-enoate is sourced from PubChem (CID 123153275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).