1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate

C29H46O10 — CID 87844195

IUPAC1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)OC(=O)C(=C)C.C=C(C)C(=O)OCC(C)OCC(C)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C17H28O6.C12H18O4/c1-11(2)16(18)22-9-14(6)20-8-13(5)21-10-15(7)23-17(19)12(3)4;1-6-7-10(15-11(13)8(2)3)16-12(14)9(4)5/h13-15H,1,3,8-10H2,2,4-7H3;10H,2,4,6-7H2,1,3,5H3
InChIKeyMUHQVOFFJIEGOJ-UHFFFAOYSA-N
MW554.68 g/mol
LogP4.77
Rot. Bonds17

About 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate

1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate (PubChem CID 87844195) has the molecular formula C29H46O10 and a molecular weight of 554.68 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
PubChem CID87844195
Molecular FormulaC29H46O10
Molecular Weight554.68 g/mol
Exact Mass554.31
IUPAC Name1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC)OC(=O)C(=C)C.C=C(C)C(=O)OCC(C)OCC(C)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C17H28O6.C12H18O4/c1-11(2)16(18)22-9-14(6)20-8-13(5)21-10-15(7)23-17(19)12(3)4;1-6-7-10(15-11(13)8(2)3)16-12(14)9(4)5/h13-15H,1,3,8-10H2,2,4-7H3;10H,2,4,6-7H2,1,3,5H3
InChIKeyMUHQVOFFJIEGOJ-UHFFFAOYSA-N
XLogP4.77
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.68
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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

2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
2,4-dimethylpentane-1,5-diol;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylprop-2-enoate
CID 87523878
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 19734689
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
CID 154099219
1-[1-(11-methylheptacosan-12-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22709341
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958
1-(2-methylprop-2-enoyloxy)propan-2-yl docosanoate
CID 139616268
2-[2-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]propyl 2-(hydroxymethyl)prop-2-enoate
CID 87346711

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate (CID 87844195) is 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC)OC(=O)C(=C)C.C=C(C)C(=O)OCC(C)OCC(C)OCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate?
The InChIKey is MUHQVOFFJIEGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6.C12H18O4/c1-11(2)16(18)22-9-14(6)20-8-13(5)21-10-15(7)23-17(19)12(3)4;1-6-7-10(15-11(13)8(2)3)16-12(14)9(4)5/h13-15H,1,3,8-10H2,2,4-7H3;10H,2,4,6-7H2,1,3,5H3.
What are the key properties of 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate?
1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate has a molecular weight of 554.68 g/mol, XLogP of 4.77, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 87844195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).