1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

C20H32O6 — CID 18006649

IUPAC1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(=C)C.C=COCCCCOC=C
InChIInChI=1S/C12H18O4.C8H14O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;1-3-9-7-5-6-8-10-4-2/h1,3,5-8H2,2,4H3;3-4H,1-2,5-8H2
InChIKeyPHHSWLIQBKZESK-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.09
Rot. Bonds14

About 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate

1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (PubChem CID 18006649) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
PubChem CID18006649
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(=O)C(=C)C.C=COCCCCOC=C
InChIInChI=1S/C12H18O4.C8H14O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;1-3-9-7-5-6-8-10-4-2/h1,3,5-8H2,2,4H3;3-4H,1-2,5-8H2
InChIKeyPHHSWLIQBKZESK-UHFFFAOYSA-N
XLogP4.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527
2-(2-ethenoxyethoxy)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 175561109
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;9-prop-2-enoyloxynonyl prop-2-enoate
CID 160866067
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
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 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The IUPAC name of 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate (CID 18006649) is 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The canonical SMILES for 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOC(=O)C(=C)C.C=COCCCCOC=C.
What is the InChIKey of 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
The InChIKey is PHHSWLIQBKZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4.C8H14O2/c1-9(2)11(13)15-7-5-6-8-16-12(14)10(3)4;1-3-9-7-5-6-8-10-4-2/h1,3,5-8H2,2,4H3;3-4H,1-2,5-8H2.
What are the key properties of 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate?
1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate has a molecular weight of 368.47 g/mol, XLogP of 4.09, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 18006649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).