4-(ethoxymethyl)hex-1-en-3-one

C9H16O2 — CID 22992607

IUPAC4-(ethoxymethyl)hex-1-en-3-one
SMILESC=CC(=O)C(CC)COCC
InChIInChI=1S/C9H16O2/c1-4-8(7-11-6-3)9(10)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyXARSTLFODIZVRU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds6

About 4-(ethoxymethyl)hex-1-en-3-one

4-(ethoxymethyl)hex-1-en-3-one (PubChem CID 22992607) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)hex-1-en-3-one.

Molecular Properties

Compound Name4-(ethoxymethyl)hex-1-en-3-one
PubChem CID22992607
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-(ethoxymethyl)hex-1-en-3-one
SMILESC=CC(=O)C(CC)COCC
InChIInChI=1S/C9H16O2/c1-4-8(7-11-6-3)9(10)5-2/h5,8H,2,4,6-7H2,1,3H3
InChIKeyXARSTLFODIZVRU-UHFFFAOYSA-N
XLogP1.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)hex-1-en-3-one?
The IUPAC name of 4-(ethoxymethyl)hex-1-en-3-one (CID 22992607) is 4-(ethoxymethyl)hex-1-en-3-one.
What is the SMILES notation for 4-(ethoxymethyl)hex-1-en-3-one?
The canonical SMILES for 4-(ethoxymethyl)hex-1-en-3-one is C=CC(=O)C(CC)COCC.
What is the InChIKey of 4-(ethoxymethyl)hex-1-en-3-one?
The InChIKey is XARSTLFODIZVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8(7-11-6-3)9(10)5-2/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of 4-(ethoxymethyl)hex-1-en-3-one?
4-(ethoxymethyl)hex-1-en-3-one has a molecular weight of 156.22 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)hex-1-en-3-one is sourced from PubChem (CID 22992607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).