9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane

C11H19ClO — CID 79863526

IUPAC9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane
SMILESCC1(C)CCCC12CC(Cl)CCO2
InChIInChI=1S/C11H19ClO/c1-10(2)5-3-6-11(10)8-9(12)4-7-13-11/h9H,3-8H2,1-2H3
InChIKeySKNYFMNVEODVJU-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.35
Rot. Bonds

About 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane

9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane (PubChem CID 79863526) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane
PubChem CID79863526
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane
SMILESCC1(C)CCCC12CC(Cl)CCO2
InChIInChI=1S/C11H19ClO/c1-10(2)5-3-6-11(10)8-9(12)4-7-13-11/h9H,3-8H2,1-2H3
InChIKeySKNYFMNVEODVJU-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane?
The IUPAC name of 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane (CID 79863526) is 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane is CC1(C)CCCC12CC(Cl)CCO2.
What is the InChIKey of 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane?
The InChIKey is SKNYFMNVEODVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-10(2)5-3-6-11(10)8-9(12)4-7-13-11/h9H,3-8H2,1-2H3.
What are the key properties of 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane?
9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane has a molecular weight of 202.72 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79863526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).