1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione

C18H26O5 — CID 151005646

IUPAC1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione
SMILESC=CCC(=O)CCC(=O)CCOCCC(=O)CCC(=O)CC=C
InChIInChI=1S/C18H26O5/c1-3-5-15(19)7-9-17(21)11-13-23-14-12-18(22)10-8-16(20)6-4-2/h3-4H,1-2,5-14H2
InChIKeyLVAKQTVWTNAPDP-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.77
Rot. Bonds16

About 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione

1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione (PubChem CID 151005646) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione.

Molecular Properties

Compound Name1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione
PubChem CID151005646
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Name1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione
SMILESC=CCC(=O)CCC(=O)CCOCCC(=O)CCC(=O)CC=C
InChIInChI=1S/C18H26O5/c1-3-5-15(19)7-9-17(21)11-13-23-14-12-18(22)10-8-16(20)6-4-2/h3-4H,1-2,5-14H2
InChIKeyLVAKQTVWTNAPDP-UHFFFAOYSA-N
XLogP2.77
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 89346702
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CID 10034873
8-methylnon-1-en-4-one
CID 116659508
3-oxohex-5-enoic acid
CID 22076660
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CID 88640670

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione?
The IUPAC name of 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione (CID 151005646) is 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione.
What is the SMILES notation for 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione?
The canonical SMILES for 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione is C=CCC(=O)CCC(=O)CCOCCC(=O)CCC(=O)CC=C.
What is the InChIKey of 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione?
The InChIKey is LVAKQTVWTNAPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-3-5-15(19)7-9-17(21)11-13-23-14-12-18(22)10-8-16(20)6-4-2/h3-4H,1-2,5-14H2.
What are the key properties of 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione?
1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione has a molecular weight of 322.40 g/mol, XLogP of 2.77, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dioxonon-8-enoxy)non-8-ene-3,6-dione is sourced from PubChem (CID 151005646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).