ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate

C11H18O3 — CID 121308140

IUPACethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
SMILESC=CCC(C)OCC(=C)C(=O)OCC
InChIInChI=1S/C11H18O3/c1-5-7-10(4)14-8-9(3)11(12)13-6-2/h5,10H,1,3,6-8H2,2,4H3
InChIKeyMKYKFMHXRYMIHU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.09
Rot. Bonds7

About ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate

ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate (PubChem CID 121308140) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
PubChem CID121308140
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate
SMILESC=CCC(C)OCC(=C)C(=O)OCC
InChIInChI=1S/C11H18O3/c1-5-7-10(4)14-8-9(3)11(12)13-6-2/h5,10H,1,3,6-8H2,2,4H3
InChIKeyMKYKFMHXRYMIHU-UHFFFAOYSA-N
XLogP2.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(hydroperoxymethyl)prop-2-enoate
CID 19795051
4-ethoxypent-1-ene
CID 12776575
ethyl 2-(methoxymethyl)prop-2-enoate
CID 20770134
ethyl 2-methylidenehex-5-enoate
CID 10855685
ethyl 2-(2-butoxypropoxymethyl)prop-2-enoate
CID 139854890
1-(2-ethoxycarbonylprop-2-enoxy)propan-2-ylphosphonic acid
CID 59930586
ethyl (2S)-2-prop-2-enoxypropanoate
CID 14743303
1-(2-ethoxycarbonylprop-2-enoxy)butylphosphonic acid
CID 59930580
ethyl 2-[2-(2-methylpropoxy)ethoxymethyl]prop-2-enoate
CID 106446640
ethyl 2-[[methyl-[(1S)-1-phenylbut-3-enyl]amino]methyl]prop-2-enoate
CID 11550821
butane;diethyl 2-prop-2-enylpropanedioate
CID 129080422
pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate (CID 121308140) is ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate is C=CCC(C)OCC(=C)C(=O)OCC.
What is the InChIKey of ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate?
The InChIKey is MKYKFMHXRYMIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-7-10(4)14-8-9(3)11(12)13-6-2/h5,10H,1,3,6-8H2,2,4H3.
What are the key properties of ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate?
ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pent-4-en-2-yloxymethyl)prop-2-enoate is sourced from PubChem (CID 121308140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).