9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one

C13H22O2 — CID 81313515

IUPAC9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one
SMILESCC1CC(C)(C)CCC12CC(=O)CCO2
InChIInChI=1S/C13H22O2/c1-10-8-12(2,3)5-6-13(10)9-11(14)4-7-15-13/h10H,4-9H2,1-3H3
InChIKeyPIIOMCZCSHGIOY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.95
Rot. Bonds

About 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one

9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one (PubChem CID 81313515) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one
PubChem CID81313515
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one
SMILESCC1CC(C)(C)CCC12CC(=O)CCO2
InChIInChI=1S/C13H22O2/c1-10-8-12(2,3)5-6-13(10)9-11(14)4-7-15-13/h10H,4-9H2,1-3H3
InChIKeyPIIOMCZCSHGIOY-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 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one?
The IUPAC name of 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one (CID 81313515) is 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one.
What is the SMILES notation for 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one?
The canonical SMILES for 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one is CC1CC(C)(C)CCC12CC(=O)CCO2.
What is the InChIKey of 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one?
The InChIKey is PIIOMCZCSHGIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-8-12(2,3)5-6-13(10)9-11(14)4-7-15-13/h10H,4-9H2,1-3H3.
What are the key properties of 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one?
9,9,11-trimethyl-1-oxaspiro[5.5]undecan-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 9,9,11-trimethyl-1-oxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 81313515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).