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'}

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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).