(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione

C13H16O2 — CID 102132299

IUPAC(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione
SMILESC#CC[C@H]1C(=O)CCC[C@]12CCCC2=O
InChIInChI=1S/C13H16O2/c1-2-5-10-11(14)6-3-8-13(10)9-4-7-12(13)15/h1,10H,3-9H2/t10-,13-/m0/s1
InChIKeyVDMMTUPONFWUHG-GWCFXTLKSA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds1

About (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione

(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione (PubChem CID 102132299) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione.

Molecular Properties

Compound Name(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione
PubChem CID102132299
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione
SMILESC#CC[C@H]1C(=O)CCC[C@]12CCCC2=O
InChIInChI=1S/C13H16O2/c1-2-5-10-11(14)6-3-8-13(10)9-4-7-12(13)15/h1,10H,3-9H2/t10-,13-/m0/s1
InChIKeyVDMMTUPONFWUHG-GWCFXTLKSA-N
XLogP2.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
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-ynylspiro[4.5]decane-4,9-dione?
The IUPAC name of (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione (CID 102132299) is (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione.
What is the SMILES notation for (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione?
The canonical SMILES for (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione is C#CC[C@H]1C(=O)CCC[C@]12CCCC2=O.
What is the InChIKey of (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione?
The InChIKey is VDMMTUPONFWUHG-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-5-10-11(14)6-3-8-13(10)9-4-7-12(13)15/h1,10H,3-9H2/t10-,13-/m0/s1.
What are the key properties of (5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione?
(5R,10R)-10-prop-2-ynylspiro[4.5]decane-4,9-dione has a molecular weight of 204.27 g/mol, XLogP of 2.12, 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-ynylspiro[4.5]decane-4,9-dione is sourced from PubChem (CID 102132299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).