6-ethenoxyhex-1-en-3-one

C8H12O2 — CID 158727116

IUPAC6-ethenoxyhex-1-en-3-one
SMILESC=COCCCC(=O)C=C
InChIInChI=1S/C8H12O2/c1-3-8(9)6-5-7-10-4-2/h3-4H,1-2,5-7H2
InChIKeyIKQJYYWJFLPGDR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds6

About 6-ethenoxyhex-1-en-3-one

6-ethenoxyhex-1-en-3-one (PubChem CID 158727116) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-ethenoxyhex-1-en-3-one.

Molecular Properties

Compound Name6-ethenoxyhex-1-en-3-one
PubChem CID158727116
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-ethenoxyhex-1-en-3-one
SMILESC=COCCCC(=O)C=C
InChIInChI=1S/C8H12O2/c1-3-8(9)6-5-7-10-4-2/h3-4H,1-2,5-7H2
InChIKeyIKQJYYWJFLPGDR-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Oxohex-5-enyl acetate
CID 139588464
6-Ethoxyhex-1-en-3-one
CID 20675034
Ethoxymethyleneacetylacetone
CID 53800728
6-[2-(4-Oxohex-5-enoxy)ethoxy]hex-1-en-3-one
CID 23591517
6-Propoxyhex-1-en-3-one
CID 57272050
6-(4-Oxohex-5-enoxy)hex-1-en-3-one
CID 57316280
6-(2-Bromoethoxy)hex-1-en-3-one
CID 57936672
4-Oxohex-5-enyl formate
CID 58206573
6-Propan-2-yloxyhex-1-en-3-one
CID 58298916
6-Methoxyhept-1-en-3-one
CID 58441310
6-(3-Methoxypropoxy)hex-1-en-3-one
CID 58846844
6-Methoxyhex-1-en-3-one
CID 59702772

Frequently Asked Questions

What is the IUPAC name of 6-ethenoxyhex-1-en-3-one?
The IUPAC name of 6-ethenoxyhex-1-en-3-one (CID 158727116) is 6-ethenoxyhex-1-en-3-one.
What is the SMILES notation for 6-ethenoxyhex-1-en-3-one?
The canonical SMILES for 6-ethenoxyhex-1-en-3-one is C=COCCCC(=O)C=C.
What is the InChIKey of 6-ethenoxyhex-1-en-3-one?
The InChIKey is IKQJYYWJFLPGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(9)6-5-7-10-4-2/h3-4H,1-2,5-7H2.
What are the key properties of 6-ethenoxyhex-1-en-3-one?
6-ethenoxyhex-1-en-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenoxyhex-1-en-3-one is sourced from PubChem (CID 158727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).