(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one

C12H16O2 — CID 134843821

IUPAC(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
SMILESC#CC[C@H]1CCCO[C@]12CCCC2=O
InChIInChI=1S/C12H16O2/c1-2-5-10-6-4-9-14-12(10)8-3-7-11(12)13/h1,10H,3-9H2/t10-,12+/m0/s1
InChIKeyOCXZVIGVOJJKMM-CMPLNLGQSA-N
MW192.26 g/mol
LogP1.93
Rot. Bonds1

About (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one

(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 134843821) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
PubChem CID134843821
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one
SMILESC#CC[C@H]1CCCO[C@]12CCCC2=O
InChIInChI=1S/C12H16O2/c1-2-5-10-6-4-9-14-12(10)8-3-7-11(12)13/h1,10H,3-9H2/t10-,12+/m0/s1
InChIKeyOCXZVIGVOJJKMM-CMPLNLGQSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one (CID 134843821) is (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one is C#CC[C@H]1CCCO[C@]12CCCC2=O.
What is the InChIKey of (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is OCXZVIGVOJJKMM-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-5-10-6-4-9-14-12(10)8-3-7-11(12)13/h1,10H,3-9H2/t10-,12+/m0/s1.
What are the key properties of (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one?
(5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-prop-2-ynyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 134843821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).