ethyl 2-(1-prop-2-enylcyclopropyl)acetate

C10H16O2 — CID 67259755

IUPACethyl 2-(1-prop-2-enylcyclopropyl)acetate
SMILESC=CCC1(CC(=O)OCC)CC1
InChIInChI=1S/C10H16O2/c1-3-5-10(6-7-10)8-9(11)12-4-2/h3H,1,4-8H2,2H3
InChIKeyJPXVEPJTDRSTGQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds5

About ethyl 2-(1-prop-2-enylcyclopropyl)acetate

ethyl 2-(1-prop-2-enylcyclopropyl)acetate (PubChem CID 67259755) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-(1-prop-2-enylcyclopropyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-prop-2-enylcyclopropyl)acetate
PubChem CID67259755
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-(1-prop-2-enylcyclopropyl)acetate
SMILESC=CCC1(CC(=O)OCC)CC1
InChIInChI=1S/C10H16O2/c1-3-5-10(6-7-10)8-9(11)12-4-2/h3H,1,4-8H2,2H3
InChIKeyJPXVEPJTDRSTGQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butanoic acid, 2-methyl-, 5-hexen-1-yl ester
CID 58240624
Ethyl 1-allylcyclopropanecarboxylate
CID 12619317
Ethyl 2,2-dimethylhex-5-enoate
CID 14906730
Methyl 2,2-dimethylhex-5-enoate
CID 91621243
Ethyl 2-prop-2-enyl-2-prop-1-ynylpent-4-enoate
CID 13426812
[(3S)-3-methylhex-5-en-2-yl] hex-5-enoate
CID 162414695
5-Hexenoic acid, 3-methyl-, ethyl ester
CID 10866583
Ethyl 2-allylpent-4-enoate
CID 10877522
Methyl-2-allyl-butanolide
CID 10898804
Methyl 4,4-dimethylhex-5-enoate
CID 12589761
Ethyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 12624745
Methyl 3,3-dimethylhex-5-enoate
CID 12676513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-prop-2-enylcyclopropyl)acetate?
The IUPAC name of ethyl 2-(1-prop-2-enylcyclopropyl)acetate (CID 67259755) is ethyl 2-(1-prop-2-enylcyclopropyl)acetate.
What is the SMILES notation for ethyl 2-(1-prop-2-enylcyclopropyl)acetate?
The canonical SMILES for ethyl 2-(1-prop-2-enylcyclopropyl)acetate is C=CCC1(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 2-(1-prop-2-enylcyclopropyl)acetate?
The InChIKey is JPXVEPJTDRSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-10(6-7-10)8-9(11)12-4-2/h3H,1,4-8H2,2H3.
What are the key properties of ethyl 2-(1-prop-2-enylcyclopropyl)acetate?
ethyl 2-(1-prop-2-enylcyclopropyl)acetate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-prop-2-enylcyclopropyl)acetate is sourced from PubChem (CID 67259755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).