8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one

C15H23ClO3 — CID 11150365

IUPAC8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCCCCCCCCC1=C(Cl)C(=O)CC12OCCO2
InChIInChI=1S/C15H23ClO3/c1-2-3-4-5-6-7-8-12-14(16)13(17)11-15(12)18-9-10-19-15/h2-11H2,1H3
InChIKeyZAXHFMVINGZZQX-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.95
Rot. Bonds7

About 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one

8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 11150365) has the molecular formula C15H23ClO3 and a molecular weight of 286.80 g/mol. Its IUPAC name is 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID11150365
Molecular FormulaC15H23ClO3
Molecular Weight286.80 g/mol
Exact Mass286.13
IUPAC Name8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESCCCCCCCCC1=C(Cl)C(=O)CC12OCCO2
InChIInChI=1S/C15H23ClO3/c1-2-3-4-5-6-7-8-12-14(16)13(17)11-15(12)18-9-10-19-15/h2-11H2,1H3
InChIKeyZAXHFMVINGZZQX-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Obogrqhgbltugl-uhfffaoysa-
CID 21627564
1-(6-Methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl)propan-1-one
CID 10921759
1-(1,4-Dioxaspiro[4.4]non-8-en-9-yl)octan-1-one
CID 14427989
Methyl 7-(8-chloro-7-oxo-1,4-dioxaspiro[4.4]non-8-en-9-yl)heptanoate
CID 15434635
8-Chloro-9-[7-(oxan-2-yloxy)heptyl]-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 21604623

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 11150365) is 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one is CCCCCCCCC1=C(Cl)C(=O)CC12OCCO2.
What is the InChIKey of 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is ZAXHFMVINGZZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO3/c1-2-3-4-5-6-7-8-12-14(16)13(17)11-15(12)18-9-10-19-15/h2-11H2,1H3.
What are the key properties of 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one?
8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 286.80 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-octyl-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 11150365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).