2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one

C14H24O2 — CID 574556

IUPAC2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one
SMILESCC1CCC(C(C)C)C2(C1)OC(C)CC2=O
InChIInChI=1S/C14H24O2/c1-9(2)12-6-5-10(3)8-14(12)13(15)7-11(4)16-14/h9-12H,5-8H2,1-4H3
InChIKeyBFRHTIYTBGCRPC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds1

About 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one

2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one (PubChem CID 574556) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one
PubChem CID574556
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one
SMILESCC1CCC(C(C)C)C2(C1)OC(C)CC2=O
InChIInChI=1S/C14H24O2/c1-9(2)12-6-5-10(3)8-14(12)13(15)7-11(4)16-14/h9-12H,5-8H2,1-4H3
InChIKeyBFRHTIYTBGCRPC-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one?
The IUPAC name of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one (CID 574556) is 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one is CC1CCC(C(C)C)C2(C1)OC(C)CC2=O.
What is the InChIKey of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one?
The InChIKey is BFRHTIYTBGCRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)12-6-5-10(3)8-14(12)13(15)7-11(4)16-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one?
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one has a molecular weight of 224.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 574556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).