4-ethenoxy-2-methylhex-4-en-3-one

C9H14O2 — CID 90754214

IUPAC4-ethenoxy-2-methylhex-4-en-3-one
SMILESC=COC(=CC)C(=O)C(C)C
InChIInChI=1S/C9H14O2/c1-5-8(11-6-2)9(10)7(3)4/h5-7H,2H2,1,3-4H3
InChIKeyWLURJWRWHJQHSV-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.28
Rot. Bonds4

About 4-ethenoxy-2-methylhex-4-en-3-one

4-ethenoxy-2-methylhex-4-en-3-one (PubChem CID 90754214) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-ethenoxy-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name4-ethenoxy-2-methylhex-4-en-3-one
PubChem CID90754214
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-ethenoxy-2-methylhex-4-en-3-one
SMILESC=COC(=CC)C(=O)C(C)C
InChIInChI=1S/C9H14O2/c1-5-8(11-6-2)9(10)7(3)4/h5-7H,2H2,1,3-4H3
InChIKeyWLURJWRWHJQHSV-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-ethenoxy-2-methylhex-4-en-3-one with MolForge

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

Launch Full Analysis

Related Compounds

methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
ethenyl 4-hydroxy-2-methylidenepentanoate
CID 57123538
ethenyl 2-aminopropanoate
CID 23374910
ethenyl 3,3,3-trifluoro-2-methylpropanoate
CID 174926990
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
ethenyl acetate
CID 7904
2-fluoro-4-methylpent-1-en-3-one
CID 135183491
3-ethenoxy-2-methyl-3-oxopropanoic acid
CID 139933111
ethane;(Z)-2-ethenoxy-1-piperidin-1-ylbut-2-en-1-one
CID 143433046

Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-2-methylhex-4-en-3-one?
The IUPAC name of 4-ethenoxy-2-methylhex-4-en-3-one (CID 90754214) is 4-ethenoxy-2-methylhex-4-en-3-one.
What is the SMILES notation for 4-ethenoxy-2-methylhex-4-en-3-one?
The canonical SMILES for 4-ethenoxy-2-methylhex-4-en-3-one is C=COC(=CC)C(=O)C(C)C.
What is the InChIKey of 4-ethenoxy-2-methylhex-4-en-3-one?
The InChIKey is WLURJWRWHJQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-8(11-6-2)9(10)7(3)4/h5-7H,2H2,1,3-4H3.
What are the key properties of 4-ethenoxy-2-methylhex-4-en-3-one?
4-ethenoxy-2-methylhex-4-en-3-one has a molecular weight of 154.21 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-2-methylhex-4-en-3-one is sourced from PubChem (CID 90754214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).