3,3-dimethyl-2-oxaspiro[4.5]decan-1-one

C11H18O2 — CID 2802933

IUPAC3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCCC2)C(=O)O1
InChIInChI=1S/C11H18O2/c1-10(2)8-11(9(12)13-10)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyUVZNNTJSCNFFND-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds

About 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one

3,3-dimethyl-2-oxaspiro[4.5]decan-1-one (PubChem CID 2802933) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
PubChem CID2802933
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,3-dimethyl-2-oxaspiro[4.5]decan-1-one
SMILESCC1(C)CC2(CCCCC2)C(=O)O1
InChIInChI=1S/C11H18O2/c1-10(2)8-11(9(12)13-10)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyUVZNNTJSCNFFND-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one (CID 2802933) is 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one is CC1(C)CC2(CCCCC2)C(=O)O1.
What is the InChIKey of 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is UVZNNTJSCNFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)8-11(9(12)13-10)6-4-3-5-7-11/h3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one?
3,3-dimethyl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 2802933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).