(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate

C11H20O3Si — CID 173390482

IUPAC(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1([SiH2]C)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-4-9(2)10(12)14-11(15-3)7-5-6-8-13-11/h4H,5-8,15H2,1-3H3
InChIKeyYBZRLHPYLWBBLZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.57
Rot. Bonds3

About (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate

(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate (PubChem CID 173390482) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate
PubChem CID173390482
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1([SiH2]C)CCCCO1
InChIInChI=1S/C11H20O3Si/c1-4-9(2)10(12)14-11(15-3)7-5-6-8-13-11/h4H,5-8,15H2,1-3H3
InChIKeyYBZRLHPYLWBBLZ-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2-aminosilyloxan-2-yl) hydrogen carbonate
CID 173333928
(2-hydroxyoxan-2-yl) 3-methylbut-2-enoate
CID 150566359
bis[dimethyl-(2-methylsilyloxan-2-yl)silyl]methanone
CID 175245714
(1-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
CID 21131316
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
(2-cyclopropyloxan-2-yl)-methylsilane;platinum
CID 173041442
(1-methylcyclopentyl) 3-hydroxy-2-methylprop-2-enoate
CID 174731206
(1-hydroxycyclooctyl) acetate
CID 91039609
(1-acetylcyclohexyl)sulfonyloxy 1-acetylcyclohexane-1-sulfonate
CID 21225538
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
oxiran-2-yl (E)-2-methylbut-2-enoate
CID 151801288
bis(1-methylcyclohexyl) oxalate
CID 154101354

Frequently Asked Questions

What is the IUPAC name of (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate?
The IUPAC name of (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate (CID 173390482) is (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate.
What is the SMILES notation for (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate?
The canonical SMILES for (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate is CC=C(C)C(=O)OC1([SiH2]C)CCCCO1.
What is the InChIKey of (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate?
The InChIKey is YBZRLHPYLWBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-4-9(2)10(12)14-11(15-3)7-5-6-8-13-11/h4H,5-8,15H2,1-3H3.
What are the key properties of (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate?
(2-methylsilyloxan-2-yl) 2-methylbut-2-enoate has a molecular weight of 228.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsilyloxan-2-yl) 2-methylbut-2-enoate is sourced from PubChem (CID 173390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).