4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane

C13H23ClO — CID 107450417

IUPAC4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
SMILESCC(C)C1CCCC2(CC(Cl)CCO2)C1
InChIInChI=1S/C13H23ClO/c1-10(2)11-4-3-6-13(8-11)9-12(14)5-7-15-13/h10-12H,3-9H2,1-2H3
InChIKeyNNJHEURMJAMZDJ-UHFFFAOYSA-N
MW230.78 g/mol
LogP3.99
Rot. Bonds1

About 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane

4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane (PubChem CID 107450417) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
PubChem CID107450417
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
SMILESCC(C)C1CCCC2(CC(Cl)CCO2)C1
InChIInChI=1S/C13H23ClO/c1-10(2)11-4-3-6-13(8-11)9-12(14)5-7-15-13/h10-12H,3-9H2,1-2H3
InChIKeyNNJHEURMJAMZDJ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.99
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

9-propan-2-yl-1-oxaspiro[5.6]dodecan-4-ol
CID 65090379
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450145
2,2-dimethyl-7-propan-2-yl-1-oxaspiro[4.5]decane
CID 118685672
9-chloro-3-ethyl-6-oxaspiro[4.5]decane
CID 64515030
2,3-dimethyl-10-propan-2-yl-1-oxa-4-azaspiro[5.5]undecane
CID 107450539
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 164867774
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
3-(5-oxaspiro[3.5]nonan-8-yl)butan-2-ol
CID 79911578
2-cyclopropyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 115819806
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane (CID 107450417) is 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane is CC(C)C1CCCC2(CC(Cl)CCO2)C1.
What is the InChIKey of 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane?
The InChIKey is NNJHEURMJAMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO/c1-10(2)11-4-3-6-13(8-11)9-12(14)5-7-15-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane?
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane has a molecular weight of 230.78 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 107450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).