2-(2-ethylcyclopropyl)ethyl prop-2-enoate

C10H16O2 — CID 59721630

IUPAC2-(2-ethylcyclopropyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC1CC
InChIInChI=1S/C10H16O2/c1-3-8-7-9(8)5-6-12-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyHSRLBUCUHSBTGO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-ethylcyclopropyl)ethyl prop-2-enoate

2-(2-ethylcyclopropyl)ethyl prop-2-enoate (PubChem CID 59721630) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-ethylcyclopropyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethylcyclopropyl)ethyl prop-2-enoate
PubChem CID59721630
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(2-ethylcyclopropyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CC1CC
InChIInChI=1S/C10H16O2/c1-3-8-7-9(8)5-6-12-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyHSRLBUCUHSBTGO-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl prop-2-enoate
CID 102248229
2-(2-ethylcyclopropyl)ethyl hexanoate
CID 45095067
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
2-(3-methyl-1,2,3,3a,6,6a-hexahydropentalen-1-yl)ethyl prop-2-enoate
CID 88999360
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
(4-ethyl-3-propylcyclohexyl) prop-2-enoate
CID 166969439
2-[10-(2-prop-2-enoyloxyethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 134574362
2-(2-ethylaziridin-1-yl)ethyl prop-2-enoate
CID 21325303
2-(3-hydroxycyclohexyl)ethyl prop-2-enoate
CID 171776027
carbamic acid;propyl prop-2-enoate
CID 87571569
2-[10-(prop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]ethyl prop-2-enoate
CID 139562214

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclopropyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2-ethylcyclopropyl)ethyl prop-2-enoate (CID 59721630) is 2-(2-ethylcyclopropyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-ethylcyclopropyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-ethylcyclopropyl)ethyl prop-2-enoate is C=CC(=O)OCCC1CC1CC.
What is the InChIKey of 2-(2-ethylcyclopropyl)ethyl prop-2-enoate?
The InChIKey is HSRLBUCUHSBTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-8-7-9(8)5-6-12-10(11)4-2/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-ethylcyclopropyl)ethyl prop-2-enoate?
2-(2-ethylcyclopropyl)ethyl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclopropyl)ethyl prop-2-enoate is sourced from PubChem (CID 59721630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).