2-methoxy-1-oxaspiro[4.5]dec-3-ene

C10H16O2 — CID 13070952

IUPAC2-methoxy-1-oxaspiro[4.5]dec-3-ene
SMILESCOC1C=CC2(CCCCC2)O1
InChIInChI=1S/C10H16O2/c1-11-9-5-8-10(12-9)6-3-2-4-7-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFFHMUGJNEGWBBO-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds1

About 2-methoxy-1-oxaspiro[4.5]dec-3-ene

2-methoxy-1-oxaspiro[4.5]dec-3-ene (PubChem CID 13070952) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methoxy-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-methoxy-1-oxaspiro[4.5]dec-3-ene
PubChem CID13070952
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methoxy-1-oxaspiro[4.5]dec-3-ene
SMILESCOC1C=CC2(CCCCC2)O1
InChIInChI=1S/C10H16O2/c1-11-9-5-8-10(12-9)6-3-2-4-7-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyFFHMUGJNEGWBBO-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
CID 102295153
(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene
CID 134858820
(2R)-2-methyl-1-oxaspiro[4.5]dec-3-ene
CID 134964659
6-Isopropenyl-3-methoxymethoxy-3-methyl-cyclohexene
CID 562417
7,9-Dioxadispiro[5.1.58.26]pentadec-14-ene
CID 14983154
2,3-Diethoxy-1-oxaspiro[5.5]undec-3-ene
CID 44605100
2-Cyclopentyl-4,7-dimethyl-4,7-dihydro-1,3-dioxepine
CID 86155607
(2S)-2-but-3-enyl-6-methoxy-2,3-dimethyl-5-methylidenepyran
CID 101987094
(2R)-2-[(2S)-2,6-dimethylhept-5-enyl]-6-methoxy-3,6-dihydro-2H-pyran
CID 59026964
2-(2,6-dimethylhept-5-enyl)-6-methoxy-3,6-dihydro-2H-pyran
CID 68708529
5-[Bis[(2-methylpropan-2-yl)oxy]methyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 70171305
2-[1-(3-Iodoprop-1-enyl)cyclohexyl]oxyoxane
CID 70377541

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-methoxy-1-oxaspiro[4.5]dec-3-ene (CID 13070952) is 2-methoxy-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-methoxy-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-methoxy-1-oxaspiro[4.5]dec-3-ene is COC1C=CC2(CCCCC2)O1.
What is the InChIKey of 2-methoxy-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is FFHMUGJNEGWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-11-9-5-8-10(12-9)6-3-2-4-7-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 2-methoxy-1-oxaspiro[4.5]dec-3-ene?
2-methoxy-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 13070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).