butyl 2-ethenylcyclopropane-1-carboxylate

C10H16O2 — CID 70573864

IUPACbutyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OCCCC
InChIInChI=1S/C10H16O2/c1-3-5-6-12-10(11)9-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyAINGYUHPALLKEZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds5

About butyl 2-ethenylcyclopropane-1-carboxylate

butyl 2-ethenylcyclopropane-1-carboxylate (PubChem CID 70573864) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is butyl 2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-ethenylcyclopropane-1-carboxylate
PubChem CID70573864
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namebutyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OCCCC
InChIInChI=1S/C10H16O2/c1-3-5-6-12-10(11)9-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKeyAINGYUHPALLKEZ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of butyl 2-ethenylcyclopropane-1-carboxylate (CID 70573864) is butyl 2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for butyl 2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for butyl 2-ethenylcyclopropane-1-carboxylate is C=CC1CC1C(=O)OCCCC.
What is the InChIKey of butyl 2-ethenylcyclopropane-1-carboxylate?
The InChIKey is AINGYUHPALLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-12-10(11)9-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of butyl 2-ethenylcyclopropane-1-carboxylate?
butyl 2-ethenylcyclopropane-1-carboxylate 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 butyl 2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 70573864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).