ethenyl 1-propylcyclopropane-1-carboxylate

C9H14O2 — CID 66748614

IUPACethenyl 1-propylcyclopropane-1-carboxylate
SMILESC=COC(=O)C1(CCC)CC1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h4H,2-3,5-7H2,1H3
InChIKeyKVMGEJXAMDHKPC-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds4

About ethenyl 1-propylcyclopropane-1-carboxylate

ethenyl 1-propylcyclopropane-1-carboxylate (PubChem CID 66748614) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethenyl 1-propylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethenyl 1-propylcyclopropane-1-carboxylate
PubChem CID66748614
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethenyl 1-propylcyclopropane-1-carboxylate
SMILESC=COC(=O)C1(CCC)CC1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h4H,2-3,5-7H2,1H3
InChIKeyKVMGEJXAMDHKPC-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
ethanol;ethenyl acetate
CID 87099759
ethenyl acetate;octadecane
CID 161470611
ethenyl acetate;heptane
CID 19104449
chloromethyl 1-butylcyclopropane-1-carboxylate
CID 170994600
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
1-propylcyclopropane-1-carbonyl cyanide
CID 54380837
ethenyl acetate
CID 7904
tert-butyl 1,1-dioxo-4-propylthiane-4-carboxylate
CID 130272215
(1R)-3-methylidene-1-propylcyclopentane-1-carboxylic acid
CID 124673165
butane-1,4-diol;ethenyl butanoate
CID 159135877
1-ethenoxycarbonylcyclodecane-1-carboxylic acid
CID 175549049

Frequently Asked Questions

What is the IUPAC name of ethenyl 1-propylcyclopropane-1-carboxylate?
The IUPAC name of ethenyl 1-propylcyclopropane-1-carboxylate (CID 66748614) is ethenyl 1-propylcyclopropane-1-carboxylate.
What is the SMILES notation for ethenyl 1-propylcyclopropane-1-carboxylate?
The canonical SMILES for ethenyl 1-propylcyclopropane-1-carboxylate is C=COC(=O)C1(CCC)CC1.
What is the InChIKey of ethenyl 1-propylcyclopropane-1-carboxylate?
The InChIKey is KVMGEJXAMDHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-9(6-7-9)8(10)11-4-2/h4H,2-3,5-7H2,1H3.
What are the key properties of ethenyl 1-propylcyclopropane-1-carboxylate?
ethenyl 1-propylcyclopropane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1-propylcyclopropane-1-carboxylate is sourced from PubChem (CID 66748614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).