8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

C10H11ClO4 — CID 15315373

IUPAC8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESC=CCOC1=C(Cl)C(=O)CC12OCCO2
InChIInChI=1S/C10H11ClO4/c1-2-3-13-9-8(11)7(12)6-10(9)14-4-5-15-10/h2H,1,3-6H2
InChIKeyIRKVJEXBGSEONX-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.36
Rot. Bonds3

About 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one

8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (PubChem CID 15315373) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.

Molecular Properties

Compound Name8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
PubChem CID15315373
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
SMILESC=CCOC1=C(Cl)C(=O)CC12OCCO2
InChIInChI=1S/C10H11ClO4/c1-2-3-13-9-8(11)7(12)6-10(9)14-4-5-15-10/h2H,1,3-6H2
InChIKeyIRKVJEXBGSEONX-UHFFFAOYSA-N
XLogP1.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-(2-Hydroxyethyloxy)-9-chloro-1,4-dioxaspiro-[4.4]non-6-en-8-one
CID 15549818
1,3-Dichloro-4-methoxy-6,9-dioxaspiro[4.4]non-3-en-2-one
CID 3589385
1,3-Dichloro-4-methoxy-6,9-dioxaspiro[4.4]non-3-en-2-one
CID 3589385
9-Methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15491394
6,8-Dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315374
6,8-Dichloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15315374
8-Chloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15383054
8-Chloro-9-methoxy-1,4-dioxaspiro[4.4]non-8-en-7-one
CID 15383054
1,3-Dichloro-4-methoxy-6,11-dioxaspiro[4.6]undeca-3,8-dien-2-one
CID 15760607

Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The IUPAC name of 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one (CID 15315373) is 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one.
What is the SMILES notation for 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The canonical SMILES for 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is C=CCOC1=C(Cl)C(=O)CC12OCCO2.
What is the InChIKey of 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
The InChIKey is IRKVJEXBGSEONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-2-3-13-9-8(11)7(12)6-10(9)14-4-5-15-10/h2H,1,3-6H2.
What are the key properties of 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one?
8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one has a molecular weight of 230.65 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-prop-2-enoxy-1,4-dioxaspiro[4.4]non-8-en-7-one is sourced from PubChem (CID 15315373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).