prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate

C14H24O6 — CID 87095016

IUPACprop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate
SMILESC=CCOCOC(=O)C(=C)CCOCC(OC)OCC
InChIInChI=1S/C14H24O6/c1-5-8-18-11-20-14(15)12(3)7-9-17-10-13(16-4)19-6-2/h5,13H,1,3,6-11H2,2,4H3
InChIKeySKSIERIIWCUZLE-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.66
Rot. Bonds13

About prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate

prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate (PubChem CID 87095016) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate.

Molecular Properties

Compound Nameprop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate
PubChem CID87095016
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Nameprop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate
SMILESC=CCOCOC(=O)C(=C)CCOCC(OC)OCC
InChIInChI=1S/C14H24O6/c1-5-8-18-11-20-14(15)12(3)7-9-17-10-13(16-4)19-6-2/h5,13H,1,3,6-11H2,2,4H3
InChIKeySKSIERIIWCUZLE-UHFFFAOYSA-N
XLogP1.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

prop-2-enoxymethyl 4-(2-cyclopentyloxyethoxy)-2-methylidenebutanoate
CID 66662818
prop-2-enoxymethyl 6-methoxy-2-methylhept-2-enoate
CID 174057656
ethyl 2-methylidenehex-5-enoate
CID 10855685
but-3-en-2-yloxymethyl 2-methylidenepentanoate
CID 170169740
2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
CID 118254217
prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
CID 174057728
prop-2-enyl 2-methylidenebutanoate
CID 12684713
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
ethyl (3R)-3-ethoxy-3-methoxypropanoate
CID 129409053
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
4-O-[[3-[[3-(ethoxymethoxy)-3-oxopropanoyl]oxymethoxy]-3-oxopropanoyl]oxymethyl] 1-O-[3-[[3-[(3-methoxy-3-oxopropanoyl)oxymethoxy]-3-oxopropanoyl]oxymethoxycarbonyl]but-3-enoyloxymethyl] 2-methylidenebutanedioate
CID 166033787
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640

Frequently Asked Questions

What is the IUPAC name of prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate?
The IUPAC name of prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate (CID 87095016) is prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate.
What is the SMILES notation for prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate?
The canonical SMILES for prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate is C=CCOCOC(=O)C(=C)CCOCC(OC)OCC.
What is the InChIKey of prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate?
The InChIKey is SKSIERIIWCUZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-5-8-18-11-20-14(15)12(3)7-9-17-10-13(16-4)19-6-2/h5,13H,1,3,6-11H2,2,4H3.
What are the key properties of prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate?
prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.66, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethyl 4-(2-ethoxy-2-methoxyethoxy)-2-methylidenebutanoate is sourced from PubChem (CID 87095016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).