(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride

C9H13ClO3 — CID 129379837

IUPAC(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCCC12OCCO2
InChIInChI=1S/C9H13ClO3/c10-8(11)7-3-1-2-4-9(7)12-5-6-13-9/h7H,1-6H2/t7-/m0/s1
InChIKeyQBIZTTMNPOFAFD-ZETCQYMHSA-N
MW204.65 g/mol
LogP1.69
Rot. Bonds1

About (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride

(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride (PubChem CID 129379837) has the molecular formula C9H13ClO3 and a molecular weight of 204.65 g/mol. Its IUPAC name is (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride.

Molecular Properties

Compound Name(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride
PubChem CID129379837
Molecular FormulaC9H13ClO3
Molecular Weight204.65 g/mol
Exact Mass204.06
IUPAC Name(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCCC12OCCO2
InChIInChI=1S/C9H13ClO3/c10-8(11)7-3-1-2-4-9(7)12-5-6-13-9/h7H,1-6H2/t7-/m0/s1
InChIKeyQBIZTTMNPOFAFD-ZETCQYMHSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride?
The IUPAC name of (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride (CID 129379837) is (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride.
What is the SMILES notation for (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride?
The canonical SMILES for (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride is O=C(Cl)[C@@H]1CCCCC12OCCO2.
What is the InChIKey of (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride?
The InChIKey is QBIZTTMNPOFAFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClO3/c10-8(11)7-3-1-2-4-9(7)12-5-6-13-9/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride?
(6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride has a molecular weight of 204.65 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,4-dioxaspiro[4.5]decane-6-carbonyl chloride is sourced from PubChem (CID 129379837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).