8-propan-2-yl-1-oxaspiro[4.5]decan-2-one

C12H20O2 — CID 6452049

IUPAC8-propan-2-yl-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)C1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H20O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h9-10H,3-8H2,1-2H3
InChIKeyVPSQYLNVIBQLTO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds1

About 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one

8-propan-2-yl-1-oxaspiro[4.5]decan-2-one (PubChem CID 6452049) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-propan-2-yl-1-oxaspiro[4.5]decan-2-one
PubChem CID6452049
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8-propan-2-yl-1-oxaspiro[4.5]decan-2-one
SMILESCC(C)C1CCC2(CCC(=O)O2)CC1
InChIInChI=1S/C12H20O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h9-10H,3-8H2,1-2H3
InChIKeyVPSQYLNVIBQLTO-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one (CID 6452049) is 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one is CC(C)C1CCC2(CCC(=O)O2)CC1.
What is the InChIKey of 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is VPSQYLNVIBQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)10-3-6-12(7-4-10)8-5-11(13)14-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one?
8-propan-2-yl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 6452049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).