(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate

C11H18O3Si — CID 67401419

IUPAC(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate
SMILESC=CC[Si]1(OC(=O)C(=C)C)CCCCO1
InChIInChI=1S/C11H18O3Si/c1-4-8-15(9-6-5-7-13-15)14-11(12)10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyDFUQRCXUQRSFJM-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.54
Rot. Bonds4

About (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate

(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate (PubChem CID 67401419) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate
PubChem CID67401419
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate
SMILESC=CC[Si]1(OC(=O)C(=C)C)CCCCO1
InChIInChI=1S/C11H18O3Si/c1-4-8-15(9-6-5-7-13-15)14-11(12)10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyDFUQRCXUQRSFJM-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-butyloxasilinan-2-yl) 2,3-dimethylbut-2-enoate
CID 70421368
butyl 2-methylprop-2-enoate;2,2-dimethyloxasilinane
CID 23091826
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 18006649
butanedioic acid;2,2-dimethyloxasilinane
CID 174614210
2,2-bis(hydroxymethyl)propane-1,3-diol;methyl 2-methylprop-2-enoate;oxolane
CID 159356669
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
cyclobutane;2-methylprop-2-eneperoxoic acid
CID 174582061
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
CID 174765174
(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl) 2-methylprop-2-enoate
CID 69400493
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate (CID 67401419) is (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate is C=CC[Si]1(OC(=O)C(=C)C)CCCCO1.
What is the InChIKey of (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate?
The InChIKey is DFUQRCXUQRSFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-4-8-15(9-6-5-7-13-15)14-11(12)10(2)3/h4H,1-2,5-9H2,3H3.
What are the key properties of (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate?
(2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate has a molecular weight of 226.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enyloxasilinan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 67401419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).