1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate

C14H18O5 — CID 87514623

IUPAC1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)OC(C=C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O5/c1-7-11(18-13(15)9(3)4)17-12(8-2)19-14(16)10(5)6/h7-8,11-12H,1-3,5H2,4,6H3
InChIKeyAIGKFGWZBOVNFJ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.27
Rot. Bonds8

About 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate

1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate (PubChem CID 87514623) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
PubChem CID87514623
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate
SMILESC=CC(OC(=O)C(=C)C)OC(C=C)OC(=O)C(=C)C
InChIInChI=1S/C14H18O5/c1-7-11(18-13(15)9(3)4)17-12(8-2)19-14(16)10(5)6/h7-8,11-12H,1-3,5H2,4,6H3
InChIKeyAIGKFGWZBOVNFJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-trimethoxysilyloxyprop-2-enyl 2-methylprop-2-enoate
CID 87726729
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
trimethyl-[1-(2-methylprop-2-enoyloxy)prop-2-enyl]azanium
CID 87588648
1-aminoprop-2-enyl 2-methylprop-2-enoate;hydrochloride
CID 87215284
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate (CID 87514623) is 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate is C=CC(OC(=O)C(=C)C)OC(C=C)OC(=O)C(=C)C.
What is the InChIKey of 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is AIGKFGWZBOVNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-7-11(18-13(15)9(3)4)17-12(8-2)19-14(16)10(5)6/h7-8,11-12H,1-3,5H2,4,6H3.
What are the key properties of 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate?
1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 266.29 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylprop-2-enoyloxy)prop-2-enoxy]prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 87514623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).