2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde

C10H16O2 — CID 18348268

IUPAC2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde
SMILESCCCCC1=CC1(C=O)OCC
InChIInChI=1S/C10H16O2/c1-3-5-6-9-7-10(9,8-11)12-4-2/h7-8H,3-6H2,1-2H3
InChIKeyUFDNYDVSLDOLAM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds6

About 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde

2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde (PubChem CID 18348268) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde
PubChem CID18348268
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde
SMILESCCCCC1=CC1(C=O)OCC
InChIInChI=1S/C10H16O2/c1-3-5-6-9-7-10(9,8-11)12-4-2/h7-8H,3-6H2,1-2H3
InChIKeyUFDNYDVSLDOLAM-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde?
The IUPAC name of 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde (CID 18348268) is 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde?
The canonical SMILES for 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde is CCCCC1=CC1(C=O)OCC.
What is the InChIKey of 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde?
The InChIKey is UFDNYDVSLDOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-6-9-7-10(9,8-11)12-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde?
2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethoxycycloprop-2-ene-1-carbaldehyde is sourced from PubChem (CID 18348268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).