ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate

C14H24O2 — CID 86179204

IUPACethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate
SMILESCCCCC1=C(CCCC)C1C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-7-9-11-12(10-8-5-2)13(11)14(15)16-6-3/h13H,4-10H2,1-3H3
InChIKeyKDKXFTIDSCSQAN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds8

About ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate

ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate (PubChem CID 86179204) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate
PubChem CID86179204
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate
SMILESCCCCC1=C(CCCC)C1C(=O)OCC
InChIInChI=1S/C14H24O2/c1-4-7-9-11-12(10-8-5-2)13(11)14(15)16-6-3/h13H,4-10H2,1-3H3
InChIKeyKDKXFTIDSCSQAN-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
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 ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate (CID 86179204) is ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate is CCCCC1=C(CCCC)C1C(=O)OCC.
What is the InChIKey of ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate?
The InChIKey is KDKXFTIDSCSQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-9-11-12(10-8-5-2)13(11)14(15)16-6-3/h13H,4-10H2,1-3H3.
What are the key properties of ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate?
ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dibutylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 86179204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).