dispiro[2.0.44.13]nonane-9-carbonyl chloride

C10H13ClO — CID 45081575

IUPACdispiro[2.0.44.13]nonane-9-carbonyl chloride
SMILESO=C(Cl)C1C2(CCCC2)C12CC2
InChIInChI=1S/C10H13ClO/c11-8(12)7-9(3-1-2-4-9)10(7)5-6-10/h7H,1-6H2
InChIKeyMADWXWXARNADNE-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.72
Rot. Bonds1

About dispiro[2.0.44.13]nonane-9-carbonyl chloride

dispiro[2.0.44.13]nonane-9-carbonyl chloride (PubChem CID 45081575) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is dispiro[2.0.44.13]nonane-9-carbonyl chloride.

Molecular Properties

Compound Namedispiro[2.0.44.13]nonane-9-carbonyl chloride
PubChem CID45081575
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Namedispiro[2.0.44.13]nonane-9-carbonyl chloride
SMILESO=C(Cl)C1C2(CCCC2)C12CC2
InChIInChI=1S/C10H13ClO/c11-8(12)7-9(3-1-2-4-9)10(7)5-6-10/h7H,1-6H2
InChIKeyMADWXWXARNADNE-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dispiro[2.0.44.13]nonane-9-carbonyl chloride?
The IUPAC name of dispiro[2.0.44.13]nonane-9-carbonyl chloride (CID 45081575) is dispiro[2.0.44.13]nonane-9-carbonyl chloride.
What is the SMILES notation for dispiro[2.0.44.13]nonane-9-carbonyl chloride?
The canonical SMILES for dispiro[2.0.44.13]nonane-9-carbonyl chloride is O=C(Cl)C1C2(CCCC2)C12CC2.
What is the InChIKey of dispiro[2.0.44.13]nonane-9-carbonyl chloride?
The InChIKey is MADWXWXARNADNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c11-8(12)7-9(3-1-2-4-9)10(7)5-6-10/h7H,1-6H2.
What are the key properties of dispiro[2.0.44.13]nonane-9-carbonyl chloride?
dispiro[2.0.44.13]nonane-9-carbonyl chloride has a molecular weight of 184.67 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dispiro[2.0.44.13]nonane-9-carbonyl chloride is sourced from PubChem (CID 45081575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).