4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]

C12H16O3 — CID 163967485

IUPAC4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]
SMILESCOCOC1=C2C(CC=C1)OCC21CC1
InChIInChI=1S/C12H16O3/c1-13-8-15-10-4-2-3-9-11(10)12(5-6-12)7-14-9/h2,4,9H,3,5-8H2,1H3
InChIKeySNBJIBFRGDHJMW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.00
Rot. Bonds3

About 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]

4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] (PubChem CID 163967485) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane].

Molecular Properties

Compound Name4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]
PubChem CID163967485
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]
SMILESCOCOC1=C2C(CC=C1)OCC21CC1
InChIInChI=1S/C12H16O3/c1-13-8-15-10-4-2-3-9-11(10)12(5-6-12)7-14-9/h2,4,9H,3,5-8H2,1H3
InChIKeySNBJIBFRGDHJMW-UHFFFAOYSA-N
XLogP2.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] with MolForge

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Related Compounds

(3aR,7aS)-4-cyclopropyl-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 131872765
(8Z)-8-[(E)-but-2-enylidene]-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10752177
4,6,6-Trimethyl-5,6,7,7a-tetrahydro-5-methylidene-1,3-benzodioxol
CID 15409727
2,2,4,6,6-Pentamethyl-5,6,7,7a-tetrahydro-5-methylidene-1,3-benzodioxol
CID 18370001
6-(1-Methylcyclopropyl)-4,5-dihydro-1,3-benzodioxole
CID 68092481
5-(1-Methylcyclopropyl)-4,5-dihydro-1,3-benzodioxole
CID 68092500
8-But-3-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85239343
8-But-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85256057
(7E)-7-[(2Z)-1-(methoxymethoxy)penta-2,4-dienylidene]-5-oxaspiro[2.4]heptane
CID 118928208
3-But-2-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 151513769
(8Z)-8-but-3-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10704866
1-Ethoxy-2-[1-(methoxymethoxy)-3-methylbut-2-enyl]-4,4-dimethyl-3-methylidenecyclohexene
CID 11109179

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]?
The IUPAC name of 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] (CID 163967485) is 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane].
What is the SMILES notation for 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]?
The canonical SMILES for 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] is COCOC1=C2C(CC=C1)OCC21CC1.
What is the InChIKey of 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]?
The InChIKey is SNBJIBFRGDHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-13-8-15-10-4-2-3-9-11(10)12(5-6-12)7-14-9/h2,4,9H,3,5-8H2,1H3.
What are the key properties of 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane]?
4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] has a molecular weight of 208.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)spiro[7,7a-dihydro-2H-1-benzofuran-3,1'-cyclopropane] is sourced from PubChem (CID 163967485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).