ethyl 2-methyl-2-prop-2-enylpent-4-enoate

C11H18O2 — CID 21062491

IUPACethyl 2-methyl-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C)(CC=C)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-5-8-11(4,9-6-2)10(12)13-7-3/h5-6H,1-2,7-9H2,3-4H3
InChIKeyVOVGLVPUBYAVQW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.71
Rot. Bonds6

About ethyl 2-methyl-2-prop-2-enylpent-4-enoate

ethyl 2-methyl-2-prop-2-enylpent-4-enoate (PubChem CID 21062491) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-methyl-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-prop-2-enylpent-4-enoate
PubChem CID21062491
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-methyl-2-prop-2-enylpent-4-enoate
SMILESC=CCC(C)(CC=C)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-5-8-11(4,9-6-2)10(12)13-7-3/h5-6H,1-2,7-9H2,3-4H3
InChIKeyVOVGLVPUBYAVQW-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The IUPAC name of ethyl 2-methyl-2-prop-2-enylpent-4-enoate (CID 21062491) is ethyl 2-methyl-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for ethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The canonical SMILES for ethyl 2-methyl-2-prop-2-enylpent-4-enoate is C=CCC(C)(CC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-prop-2-enylpent-4-enoate?
The InChIKey is VOVGLVPUBYAVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-8-11(4,9-6-2)10(12)13-7-3/h5-6H,1-2,7-9H2,3-4H3.
What are the key properties of ethyl 2-methyl-2-prop-2-enylpent-4-enoate?
ethyl 2-methyl-2-prop-2-enylpent-4-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 21062491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).