ethyl 2-prop-1-en-2-ylhex-5-enoate

C11H18O2 — CID 11148095

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

About ethyl 2-prop-1-en-2-ylhex-5-enoate

ethyl 2-prop-1-en-2-ylhex-5-enoate (PubChem CID 11148095) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-prop-1-en-2-ylhex-5-enoate.

Molecular Properties

Compound Nameethyl 2-prop-1-en-2-ylhex-5-enoate
PubChem CID11148095
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-prop-1-en-2-ylhex-5-enoate
SMILESC=CCCC(C(=C)C)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-5-7-8-10(9(3)4)11(12)13-6-2/h5,10H,1,3,6-8H2,2,4H3
InChIKeyRROJYKPWPODXPY-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-prop-1-en-2-ylhex-5-enoate?
The IUPAC name of ethyl 2-prop-1-en-2-ylhex-5-enoate (CID 11148095) is ethyl 2-prop-1-en-2-ylhex-5-enoate.
What is the SMILES notation for ethyl 2-prop-1-en-2-ylhex-5-enoate?
The canonical SMILES for ethyl 2-prop-1-en-2-ylhex-5-enoate is C=CCCC(C(=C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-prop-1-en-2-ylhex-5-enoate?
The InChIKey is RROJYKPWPODXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-7-8-10(9(3)4)11(12)13-6-2/h5,10H,1,3,6-8H2,2,4H3.
What are the key properties of ethyl 2-prop-1-en-2-ylhex-5-enoate?
ethyl 2-prop-1-en-2-ylhex-5-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-prop-1-en-2-ylhex-5-enoate is sourced from PubChem (CID 11148095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).