[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate

C17H24O6 — CID 142750800

IUPAC[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C(C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C17H24O6/c1-10(2)13(18)21-16(7,8)17(9,22-14(19)11(3)4)23-15(20)12(5)6/h1,3,5H2,2,4,6-9H3
InChIKeyOOLVXAHMEZKXQJ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.84
Rot. Bonds7

About [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate

[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate (PubChem CID 142750800) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
PubChem CID142750800
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C(C)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C17H24O6/c1-10(2)13(18)21-16(7,8)17(9,22-14(19)11(3)4)23-15(20)12(5)6/h1,3,5H2,2,4,6-9H3
InChIKeyOOLVXAHMEZKXQJ-UHFFFAOYSA-N
XLogP2.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
(1,2-dimethoxy-2-methyl-1-silylpropyl) 2-methylprop-2-enoate
CID 174362709
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
CID 164803611

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate (CID 142750800) is [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C(C)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate?
The InChIKey is OOLVXAHMEZKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-10(2)13(18)21-16(7,8)17(9,22-14(19)11(3)4)23-15(20)12(5)6/h1,3,5H2,2,4,6-9H3.
What are the key properties of [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate?
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate has a molecular weight of 324.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 142750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).