3-propyl-1-oxaspiro[4.5]decan-2-one

C12H20O2 — CID 166447250

IUPAC3-propyl-1-oxaspiro[4.5]decan-2-one
SMILESCCCC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C12H20O2/c1-2-6-10-9-12(14-11(10)13)7-4-3-5-8-12/h10H,2-9H2,1H3
InChIKeyJVCKDCGUTWOEQC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds2

About 3-propyl-1-oxaspiro[4.5]decan-2-one

3-propyl-1-oxaspiro[4.5]decan-2-one (PubChem CID 166447250) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-propyl-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-propyl-1-oxaspiro[4.5]decan-2-one
PubChem CID166447250
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-propyl-1-oxaspiro[4.5]decan-2-one
SMILESCCCC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C12H20O2/c1-2-6-10-9-12(14-11(10)13)7-4-3-5-8-12/h10H,2-9H2,1H3
InChIKeyJVCKDCGUTWOEQC-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 3-propyl-1-oxaspiro[4.5]decan-2-one (CID 166447250) is 3-propyl-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-propyl-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 3-propyl-1-oxaspiro[4.5]decan-2-one is CCCC1CC2(CCCCC2)OC1=O.
What is the InChIKey of 3-propyl-1-oxaspiro[4.5]decan-2-one?
The InChIKey is JVCKDCGUTWOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-6-10-9-12(14-11(10)13)7-4-3-5-8-12/h10H,2-9H2,1H3.
What are the key properties of 3-propyl-1-oxaspiro[4.5]decan-2-one?
3-propyl-1-oxaspiro[4.5]decan-2-one has a molecular weight of 196.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 166447250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).