(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate

C17H26O4 — CID 70839735

IUPAC(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate
SMILESCC1CCC1(C(=O)OC12CCCC1OC(=O)C2)C(C)(C)C
InChIInChI=1S/C17H26O4/c1-11-7-9-17(11,15(2,3)4)14(19)21-16-8-5-6-12(16)20-13(18)10-16/h11-12H,5-10H2,1-4H3
InChIKeyDCXSPYNQRAYREY-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.23
Rot. Bonds2

About (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate

(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate (PubChem CID 70839735) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate
PubChem CID70839735
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate
SMILESCC1CCC1(C(=O)OC12CCCC1OC(=O)C2)C(C)(C)C
InChIInChI=1S/C17H26O4/c1-11-7-9-17(11,15(2,3)4)14(19)21-16-8-5-6-12(16)20-13(18)10-16/h11-12H,5-10H2,1-4H3
InChIKeyDCXSPYNQRAYREY-UHFFFAOYSA-N
XLogP3.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate?
The IUPAC name of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate (CID 70839735) is (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate.
What is the SMILES notation for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate?
The canonical SMILES for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate is CC1CCC1(C(=O)OC12CCCC1OC(=O)C2)C(C)(C)C.
What is the InChIKey of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate?
The InChIKey is DCXSPYNQRAYREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-11-7-9-17(11,15(2,3)4)14(19)21-16-8-5-6-12(16)20-13(18)10-16/h11-12H,5-10H2,1-4H3.
What are the key properties of (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate?
(2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-3a-yl) 1-tert-butyl-2-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 70839735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).