9-chloro-3-ethyl-6-oxaspiro[4.5]decane

C11H19ClO — CID 64515030

IUPAC9-chloro-3-ethyl-6-oxaspiro[4.5]decane
SMILESCCC1CCC2(CC(Cl)CCO2)C1
InChIInChI=1S/C11H19ClO/c1-2-9-3-5-11(7-9)8-10(12)4-6-13-11/h9-10H,2-8H2,1H3
InChIKeyJFVGCUNSUISPMW-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.35
Rot. Bonds1

About 9-chloro-3-ethyl-6-oxaspiro[4.5]decane

9-chloro-3-ethyl-6-oxaspiro[4.5]decane (PubChem CID 64515030) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 9-chloro-3-ethyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-chloro-3-ethyl-6-oxaspiro[4.5]decane
PubChem CID64515030
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name9-chloro-3-ethyl-6-oxaspiro[4.5]decane
SMILESCCC1CCC2(CC(Cl)CCO2)C1
InChIInChI=1S/C11H19ClO/c1-2-9-3-5-11(7-9)8-10(12)4-6-13-11/h9-10H,2-8H2,1H3
InChIKeyJFVGCUNSUISPMW-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
8-ethyl-2-methyl-5-oxa-2-azaspiro[3.5]nonane
CID 164867995
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
6-ethyl-4-oxaspiro[2.4]heptane
CID 166857382
3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one
CID 130920905
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
CID 79923331
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122613
(3S)-3-ethyl-8,8-dimethyl-6,10-dioxaspiro[4.5]decane
CID 58990308

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-ethyl-6-oxaspiro[4.5]decane?
The IUPAC name of 9-chloro-3-ethyl-6-oxaspiro[4.5]decane (CID 64515030) is 9-chloro-3-ethyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-chloro-3-ethyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-chloro-3-ethyl-6-oxaspiro[4.5]decane is CCC1CCC2(CC(Cl)CCO2)C1.
What is the InChIKey of 9-chloro-3-ethyl-6-oxaspiro[4.5]decane?
The InChIKey is JFVGCUNSUISPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-2-9-3-5-11(7-9)8-10(12)4-6-13-11/h9-10H,2-8H2,1H3.
What are the key properties of 9-chloro-3-ethyl-6-oxaspiro[4.5]decane?
9-chloro-3-ethyl-6-oxaspiro[4.5]decane has a molecular weight of 202.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-ethyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 64515030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).