2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one

C11H18O2 — CID 550664

IUPAC2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one
SMILESCC(C)C1CC(=O)C2(CCCC2)O1
InChIInChI=1S/C11H18O2/c1-8(2)9-7-10(12)11(13-9)5-3-4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyAODFPSDUINDMQQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds1

About 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one

2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one (PubChem CID 550664) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one
PubChem CID550664
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one
SMILESCC(C)C1CC(=O)C2(CCCC2)O1
InChIInChI=1S/C11H18O2/c1-8(2)9-7-10(12)11(13-9)5-3-4-6-11/h8-9H,3-7H2,1-2H3
InChIKeyAODFPSDUINDMQQ-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one?
The IUPAC name of 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one (CID 550664) is 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one is CC(C)C1CC(=O)C2(CCCC2)O1.
What is the InChIKey of 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one?
The InChIKey is AODFPSDUINDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)9-7-10(12)11(13-9)5-3-4-6-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one?
2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-oxaspiro[4.4]nonan-4-one is sourced from PubChem (CID 550664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).