2-cyclopropylethyl hex-3-enoate

C11H18O2 — CID 67151330

IUPAC2-cyclopropylethyl hex-3-enoate
SMILESCCC=CCC(=O)OCCC1CC1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-11(12)13-9-8-10-6-7-10/h3-4,10H,2,5-9H2,1H3
InChIKeyDYSHBMQWMYRLOA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds6

About 2-cyclopropylethyl hex-3-enoate

2-cyclopropylethyl hex-3-enoate (PubChem CID 67151330) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclopropylethyl hex-3-enoate.

Molecular Properties

Compound Name2-cyclopropylethyl hex-3-enoate
PubChem CID67151330
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclopropylethyl hex-3-enoate
SMILESCCC=CCC(=O)OCCC1CC1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-11(12)13-9-8-10-6-7-10/h3-4,10H,2,5-9H2,1H3
InChIKeyDYSHBMQWMYRLOA-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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 2-cyclopropylethyl hex-3-enoate?
The IUPAC name of 2-cyclopropylethyl hex-3-enoate (CID 67151330) is 2-cyclopropylethyl hex-3-enoate.
What is the SMILES notation for 2-cyclopropylethyl hex-3-enoate?
The canonical SMILES for 2-cyclopropylethyl hex-3-enoate is CCC=CCC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl hex-3-enoate?
The InChIKey is DYSHBMQWMYRLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-11(12)13-9-8-10-6-7-10/h3-4,10H,2,5-9H2,1H3.
What are the key properties of 2-cyclopropylethyl hex-3-enoate?
2-cyclopropylethyl hex-3-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl hex-3-enoate is sourced from PubChem (CID 67151330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).