2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene

C9H14O4 — CID 44720274

IUPAC2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCC(OC)O2)O1
InChIInChI=1S/C9H14O4/c1-10-7-3-5-9(12-7)6-4-8(11-2)13-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYCMKOJGYBMFLQQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.02
Rot. Bonds2

About 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene

2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 44720274) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID44720274
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene
SMILESCOC1C=CC2(CCC(OC)O2)O1
InChIInChI=1S/C9H14O4/c1-10-7-3-5-9(12-7)6-4-8(11-2)13-9/h3,5,7-8H,4,6H2,1-2H3
InChIKeyYCMKOJGYBMFLQQ-UHFFFAOYSA-N
XLogP1.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Flosculin C
CID 11593812
Flosculin B
CID 11615555
(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
2,5-dimethoxy-5-propyl-2H-furan
CID 21493212
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene
CID 91751298
Spiro-ether
CID 91753435
1,6-Dioxaspiro[4.4]non-3-ene
CID 10374471
5-butyl-2,5-dimethoxy-2H-furan
CID 12216653
Bis(2,5-dimethoxy-2,5-dihydrofur-2-yl)methane
CID 12382033
2-Methoxy-7-methyl-1,6-dioxaspiro[4.4]non-3-ene
CID 12937299

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene (CID 44720274) is 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene is COC1C=CC2(CCC(OC)O2)O1.
What is the InChIKey of 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is YCMKOJGYBMFLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-10-7-3-5-9(12-7)6-4-8(11-2)13-9/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene?
2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 186.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethoxy-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 44720274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).