8-(6-oxooct-7-enoxy)oct-1-en-3-one

C16H26O3 — CID 140975473

IUPAC8-(6-oxooct-7-enoxy)oct-1-en-3-one
SMILESC=CC(=O)CCCCCOCCCCCC(=O)C=C
InChIInChI=1S/C16H26O3/c1-3-15(17)11-7-5-9-13-19-14-10-6-8-12-16(18)4-2/h3-4H,1-2,5-14H2
InChIKeyUCJGNWZALSEAOR-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.63
Rot. Bonds14

About 8-(6-oxooct-7-enoxy)oct-1-en-3-one

8-(6-oxooct-7-enoxy)oct-1-en-3-one (PubChem CID 140975473) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 8-(6-oxooct-7-enoxy)oct-1-en-3-one.

Molecular Properties

Compound Name8-(6-oxooct-7-enoxy)oct-1-en-3-one
PubChem CID140975473
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name8-(6-oxooct-7-enoxy)oct-1-en-3-one
SMILESC=CC(=O)CCCCCOCCCCCC(=O)C=C
InChIInChI=1S/C16H26O3/c1-3-15(17)11-7-5-9-13-19-14-10-6-8-12-16(18)4-2/h3-4H,1-2,5-14H2
InChIKeyUCJGNWZALSEAOR-UHFFFAOYSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
Ethyl 6-oxooct-7-enoate
CID 3264110
8-Methoxyoct-1-en-3-one
CID 20672825
7-(5-Oxohept-6-enoxy)hept-1-en-3-one
CID 57277547
6-Oxooct-7-enyl prop-2-enoate
CID 57757349
6-Oxooct-7-enyl 2-methylpropanoate
CID 58298920
8-Propan-2-yloxyoct-1-en-3-one
CID 58298930
10-Propan-2-yloxydec-1-en-3-one
CID 58298955
1-(Oxolan-2-yl)but-3-en-2-one
CID 58325601
7-[2-[2-(5-Oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
CID 58402340
Bis(4-oxohex-5-enyl) hexanedioate
CID 87123144
Ethyl 7-oxonon-8-enoate
CID 87373435

Frequently Asked Questions

What is the IUPAC name of 8-(6-oxooct-7-enoxy)oct-1-en-3-one?
The IUPAC name of 8-(6-oxooct-7-enoxy)oct-1-en-3-one (CID 140975473) is 8-(6-oxooct-7-enoxy)oct-1-en-3-one.
What is the SMILES notation for 8-(6-oxooct-7-enoxy)oct-1-en-3-one?
The canonical SMILES for 8-(6-oxooct-7-enoxy)oct-1-en-3-one is C=CC(=O)CCCCCOCCCCCC(=O)C=C.
What is the InChIKey of 8-(6-oxooct-7-enoxy)oct-1-en-3-one?
The InChIKey is UCJGNWZALSEAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-15(17)11-7-5-9-13-19-14-10-6-8-12-16(18)4-2/h3-4H,1-2,5-14H2.
What are the key properties of 8-(6-oxooct-7-enoxy)oct-1-en-3-one?
8-(6-oxooct-7-enoxy)oct-1-en-3-one has a molecular weight of 266.38 g/mol, XLogP of 3.63, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-oxooct-7-enoxy)oct-1-en-3-one is sourced from PubChem (CID 140975473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).