4-ethyloxane-4-carbaldehyde;prop-1-ene

C11H20O2 — CID 142374827

IUPAC4-ethyloxane-4-carbaldehyde;prop-1-ene
SMILESC=CC.CCC1(C=O)CCOCC1
InChIInChI=1S/C8H14O2.C3H6/c1-2-8(7-9)3-5-10-6-4-8;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3
InChIKeyDHMSOLUNYMZMDW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds2

About 4-ethyloxane-4-carbaldehyde;prop-1-ene

4-ethyloxane-4-carbaldehyde;prop-1-ene (PubChem CID 142374827) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-ethyloxane-4-carbaldehyde;prop-1-ene.

Molecular Properties

Compound Name4-ethyloxane-4-carbaldehyde;prop-1-ene
PubChem CID142374827
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-ethyloxane-4-carbaldehyde;prop-1-ene
SMILESC=CC.CCC1(C=O)CCOCC1
InChIInChI=1S/C8H14O2.C3H6/c1-2-8(7-9)3-5-10-6-4-8;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3
InChIKeyDHMSOLUNYMZMDW-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
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'}

Analyze 4-ethyloxane-4-carbaldehyde;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyloxane-4-carbaldehyde;prop-1-ene?
The IUPAC name of 4-ethyloxane-4-carbaldehyde;prop-1-ene (CID 142374827) is 4-ethyloxane-4-carbaldehyde;prop-1-ene.
What is the SMILES notation for 4-ethyloxane-4-carbaldehyde;prop-1-ene?
The canonical SMILES for 4-ethyloxane-4-carbaldehyde;prop-1-ene is C=CC.CCC1(C=O)CCOCC1.
What is the InChIKey of 4-ethyloxane-4-carbaldehyde;prop-1-ene?
The InChIKey is DHMSOLUNYMZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C3H6/c1-2-8(7-9)3-5-10-6-4-8;1-3-2/h7H,2-6H2,1H3;3H,1H2,2H3.
What are the key properties of 4-ethyloxane-4-carbaldehyde;prop-1-ene?
4-ethyloxane-4-carbaldehyde;prop-1-ene has a molecular weight of 184.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxane-4-carbaldehyde;prop-1-ene is sourced from PubChem (CID 142374827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).