(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene

C12H20O — CID 102295153

IUPAC(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
SMILESCCC[C@@H]1C=CC2(CCCCC2)O1
InChIInChI=1S/C12H20O/c1-2-6-11-7-10-12(13-11)8-4-3-5-9-12/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1
InChIKeyCWOQSBLVFWOUHC-LLVKDONJSA-N
MW180.29 g/mol
LogP3.44
Rot. Bonds2

About (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene

(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 102295153) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID102295153
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
SMILESCCC[C@@H]1C=CC2(CCCCC2)O1
InChIInChI=1S/C12H20O/c1-2-6-11-7-10-12(13-11)8-4-3-5-9-12/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1
InChIKeyCWOQSBLVFWOUHC-LLVKDONJSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.44
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[4.5]dec-3-ene?
The IUPAC name of (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene (CID 102295153) is (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene is CCC[C@@H]1C=CC2(CCCCC2)O1.
What is the InChIKey of (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is CWOQSBLVFWOUHC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20O/c1-2-6-11-7-10-12(13-11)8-4-3-5-9-12/h7,10-11H,2-6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene?
(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 180.29 g/mol, XLogP of 3.44, 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[4.5]dec-3-ene is sourced from PubChem (CID 102295153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).