1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]

C15H20O — CID 58564359

IUPAC1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
SMILESCC1(C)CC(C)(C)C12COc1ccccc12
InChIInChI=1S/C15H20O/c1-13(2)9-14(3,4)15(13)10-16-12-8-6-5-7-11(12)15/h5-8H,9-10H2,1-4H3
InChIKeySDADZYXWUMFFLZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.77
Rot. Bonds

About 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]

1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane] (PubChem CID 58564359) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane].

Molecular Properties

Compound Name1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
PubChem CID58564359
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
SMILESCC1(C)CC(C)(C)C12COc1ccccc12
InChIInChI=1S/C15H20O/c1-13(2)9-14(3,4)15(13)10-16-12-8-6-5-7-11(12)15/h5-8H,9-10H2,1-4H3
InChIKeySDADZYXWUMFFLZ-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]?
The IUPAC name of 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane] (CID 58564359) is 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane].
What is the SMILES notation for 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]?
The canonical SMILES for 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane] is CC1(C)CC(C)(C)C12COc1ccccc12.
What is the InChIKey of 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]?
The InChIKey is SDADZYXWUMFFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-13(2)9-14(3,4)15(13)10-16-12-8-6-5-7-11(12)15/h5-8H,9-10H2,1-4H3.
What are the key properties of 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]?
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane] has a molecular weight of 216.32 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane] is sourced from PubChem (CID 58564359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).