(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]

C20H28O2 — CID 10040483

IUPAC(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]
SMILESCC(C)(C)/C=C1/OC=CC12CCc1ccoc1C2C(C)(C)C
InChIInChI=1S/C20H28O2/c1-18(2,3)13-15-20(10-12-21-15)9-7-14-8-11-22-16(14)17(20)19(4,5)6/h8,10-13,17H,7,9H2,1-6H3/b15-13+
InChIKeyRYLGPTIJXDZKDR-FYWRMAATSA-N
MW300.44 g/mol
LogP5.82
Rot. Bonds

About (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]

(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] (PubChem CID 10040483) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan].

Molecular Properties

Compound Name(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]
PubChem CID10040483
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]
SMILESCC(C)(C)/C=C1/OC=CC12CCc1ccoc1C2C(C)(C)C
InChIInChI=1S/C20H28O2/c1-18(2,3)13-15-20(10-12-21-15)9-7-14-8-11-22-16(14)17(20)19(4,5)6/h8,10-13,17H,7,9H2,1-6H3/b15-13+
InChIKeyRYLGPTIJXDZKDR-FYWRMAATSA-N
XLogP5.82
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9R,10S)-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.02,6]trideca-2(6),4-diene
CID 23427471
(6aS)-6a-methyl-4,5,6,7,8,9a-hexahydroazuleno[8,7-b]furan-9-one
CID 135039054
(6R,7S)-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-carbaldehyde
CID 131145401
(6R,7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-6-ol
CID 59511534
(7R)-4,5,6,7-tetrahydro-1-benzofuran-7-ol
CID 130671391
1-(6-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl)ethanamine
CID 112714578
5,6-dihydro-4H-cyclopenta[b]furan-6-yl 2-methylprop-2-enoate
CID 90261973
7-(2,5-dimethylthiophen-3-yl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
CID 165476405
1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 63471377
6-(2-fluoropropan-2-yl)-2-N-(4,5,6,7-tetrahydro-1-benzofuran-7-yl)-1,3,5-triazine-2,4-diamine
CID 139904923
5,5a,6,7,8,8a-hexahydro-4H-furo[3,2-g]indole
CID 112714220
N,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-6-amine
CID 112714136

Frequently Asked Questions

What is the IUPAC name of (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]?
The IUPAC name of (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] (CID 10040483) is (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan].
What is the SMILES notation for (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]?
The canonical SMILES for (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] is CC(C)(C)/C=C1/OC=CC12CCc1ccoc1C2C(C)(C)C.
What is the InChIKey of (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]?
The InChIKey is RYLGPTIJXDZKDR-FYWRMAATSA-N. The full InChI is InChI=1S/C20H28O2/c1-18(2,3)13-15-20(10-12-21-15)9-7-14-8-11-22-16(14)17(20)19(4,5)6/h8,10-13,17H,7,9H2,1-6H3/b15-13+.
What are the key properties of (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan]?
(2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] has a molecular weight of 300.44 g/mol, XLogP of 5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'E)-7-tert-butyl-2'-(2,2-dimethylpropylidene)spiro[5,7-dihydro-4H-1-benzofuran-6,3'-furan] is sourced from PubChem (CID 10040483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).