2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one

C11H18O2 — CID 103564969

IUPAC2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one
SMILESCC(C)C1CC2(CC(=O)CCO2)C1
InChIInChI=1S/C11H18O2/c1-8(2)9-5-11(6-9)7-10(12)3-4-13-11/h8-9H,3-7H2,1-2H3
InChIKeyXHHQUUYCSFBFDC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.17
Rot. Bonds1

About 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one

2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one (PubChem CID 103564969) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one.

Molecular Properties

Compound Name2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one
PubChem CID103564969
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one
SMILESCC(C)C1CC2(CC(=O)CCO2)C1
InChIInChI=1S/C11H18O2/c1-8(2)9-5-11(6-9)7-10(12)3-4-13-11/h8-9H,3-7H2,1-2H3
InChIKeyXHHQUUYCSFBFDC-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323
9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one
CID 81313515
6-propan-2-yl-1-azaspiro[3.3]heptan-2-one
CID 103565033
ethane;1-(8-propan-2-yl-5-oxa-2-azaspiro[3.5]nonan-2-yl)ethanone
CID 164867774
2-(1-oxaspiro[5.5]undecan-4-yl)-4-propan-2-ylcyclohexan-1-one
CID 79900843
methane;bis(1-methyl-3-propan-2-ylcyclohexan-1-ol);3-propan-2-ylcyclohexan-1-ol;4-propan-2-ylcyclohexan-1-one;7-propan-2-yl-1-oxaspiro[3.5]nonane
CID 160603699
3-hydroxy-2,2-dimethyloxan-4-one
CID 14977609
1,1,2,3,3-pentamethyl-5-propan-2-ylcyclohexane
CID 140583880
5-oxaspiro[3.5]nonan-2-one
CID 171035049
(3S)-3-propan-2-ylcyclopentan-1-one
CID 10855459
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
3-methyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclopentan-1-one
CID 116538544

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one?
The IUPAC name of 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one (CID 103564969) is 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one.
What is the SMILES notation for 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one?
The canonical SMILES for 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one is CC(C)C1CC2(CC(=O)CCO2)C1.
What is the InChIKey of 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one?
The InChIKey is XHHQUUYCSFBFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)9-5-11(6-9)7-10(12)3-4-13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one?
2-propan-2-yl-5-oxaspiro[3.5]nonan-8-one has a molecular weight of 182.26 g/mol, XLogP of 2.17, 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-5-oxaspiro[3.5]nonan-8-one is sourced from PubChem (CID 103564969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).