(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C20H24O3 — CID 29323

IUPAC(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C
InChIInChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3
InChIKeySSUHZYMJFMBVRM-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.60
Rot. Bonds5

About (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 29323) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID29323
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C
InChIInChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3
InChIKeySSUHZYMJFMBVRM-UHFFFAOYSA-N
XLogP4.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 29323) is (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1(C)C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C.
What is the InChIKey of (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is SSUHZYMJFMBVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-19(2)17(20(19,3)4)18(21)23-13-15-11-16(22-12-15)10-14-8-6-5-7-9-14/h5-9,11-12,17H,10,13H2,1-4H3.
What are the key properties of (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzylfuran-3-yl)methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 29323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).