7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one

C13H22O2 — CID 165459405

IUPAC7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CC(C)(C)CC2(C1)OCCC2=O
InChIInChI=1S/C13H22O2/c1-11(2)7-12(3,4)9-13(8-11)10(14)5-6-15-13/h5-9H2,1-4H3
InChIKeyMNIBJCWUYIJIAS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds

About 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one

7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one (PubChem CID 165459405) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one
PubChem CID165459405
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CC(C)(C)CC2(C1)OCCC2=O
InChIInChI=1S/C13H22O2/c1-11(2)7-12(3,4)9-13(8-11)10(14)5-6-15-13/h5-9H2,1-4H3
InChIKeyMNIBJCWUYIJIAS-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one?
The IUPAC name of 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one (CID 165459405) is 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one is CC1(C)CC(C)(C)CC2(C1)OCCC2=O.
What is the InChIKey of 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one?
The InChIKey is MNIBJCWUYIJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(2)7-12(3,4)9-13(8-11)10(14)5-6-15-13/h5-9H2,1-4H3.
What are the key properties of 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one?
7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one has a molecular weight of 210.32 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9,9-tetramethyl-1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 165459405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).