2-methoxy-1,6-dioxaspiro[4.4]non-3-ene

C8H12O3 — CID 13031345

IUPAC2-methoxy-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCCO2)O1
InChIInChI=1S/C8H12O3/c1-9-7-3-5-8(11-7)4-2-6-10-8/h3,5,7H,2,4,6H2,1H3
InChIKeyUKMZYDSGJHVHMN-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.05
Rot. Bonds1

About 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene

2-methoxy-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 13031345) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2-methoxy-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID13031345
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-methoxy-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCCO2)O1
InChIInChI=1S/C8H12O3/c1-9-7-3-5-8(11-7)4-2-6-10-8/h3,5,7H,2,4,6H2,1H3
InChIKeyUKMZYDSGJHVHMN-UHFFFAOYSA-N
XLogP1.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Tonghaosu
CID 5352496
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 103031
Tonghaosu, (Z)-
CID 5352494
Flosculin C
CID 11593812
Flosculin B
CID 11615555
(2E,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 44575220
(2Z,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960595
(2Z,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960596
(2E,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76961451
(2Z,5S,7R)-2-hexa-2,4-diynylidene-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
CID 163007656
(2E,5S,7S)-2-hexa-2,4-diynylidene-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
CID 163007657
2-Ethyl-2,5-dimethoxy-2,5-dihydrofuran
CID 12937295

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene (CID 13031345) is 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene is COC1C=CC2(CCCO2)O1.
What is the InChIKey of 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is UKMZYDSGJHVHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-9-7-3-5-8(11-7)4-2-6-10-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene?
2-methoxy-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 156.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 13031345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).