(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene

C11H18O — CID 102295154

IUPAC(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene
SMILESCCC[C@@H]1C=CC2(CCCC2)O1
InChIInChI=1S/C11H18O/c1-2-5-10-6-9-11(12-10)7-3-4-8-11/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyBVLWIGYQPPCWPS-SNVBAGLBSA-N
MW166.26 g/mol
LogP3.05
Rot. Bonds2

About (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene

(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene (PubChem CID 102295154) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene
PubChem CID102295154
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene
SMILESCCC[C@@H]1C=CC2(CCCC2)O1
InChIInChI=1S/C11H18O/c1-2-5-10-6-9-11(12-10)7-3-4-8-11/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyBVLWIGYQPPCWPS-SNVBAGLBSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene?
The IUPAC name of (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene (CID 102295154) is (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene.
What is the SMILES notation for (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene?
The canonical SMILES for (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene is CCC[C@@H]1C=CC2(CCCC2)O1.
What is the InChIKey of (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene?
The InChIKey is BVLWIGYQPPCWPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O/c1-2-5-10-6-9-11(12-10)7-3-4-8-11/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene?
(2R)-2-propyl-1-oxaspiro[4.4]non-3-ene has a molecular weight of 166.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-propyl-1-oxaspiro[4.4]non-3-ene is sourced from PubChem (CID 102295154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).