4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane

C13H21ClO — CID 64623644

IUPAC4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane
SMILESClC1CCOC2(CCCC(C3CC3)C2)C1
InChIInChI=1S/C13H21ClO/c14-12-5-7-15-13(9-12)6-1-2-11(8-13)10-3-4-10/h10-12H,1-9H2
InChIKeyAPAFXNQJXNCOIB-UHFFFAOYSA-N
MW228.76 g/mol
LogP3.74
Rot. Bonds1

About 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane

4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane (PubChem CID 64623644) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane
PubChem CID64623644
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane
SMILESClC1CCOC2(CCCC(C3CC3)C2)C1
InChIInChI=1S/C13H21ClO/c14-12-5-7-15-13(9-12)6-1-2-11(8-13)10-3-4-10/h10-12H,1-9H2
InChIKeyAPAFXNQJXNCOIB-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 53.74
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 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane?
The IUPAC name of 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane (CID 64623644) is 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane?
The canonical SMILES for 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane is ClC1CCOC2(CCCC(C3CC3)C2)C1.
What is the InChIKey of 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane?
The InChIKey is APAFXNQJXNCOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClO/c14-12-5-7-15-13(9-12)6-1-2-11(8-13)10-3-4-10/h10-12H,1-9H2.
What are the key properties of 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane?
4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane has a molecular weight of 228.76 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-10-cyclopropyl-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 64623644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).