2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan

C22H26O2 — CID 11870576

IUPAC2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan
SMILESCC(c1ccc([C@H]2C[C@H]2C2CC2)o1)c1ccc([C@@H]2C[C@@H]2C2CC2)o1
InChIInChI=1S/C22H26O2/c1-12(19-6-8-21(23-19)17-10-15(17)13-2-3-13)20-7-9-22(24-20)18-11-16(18)14-4-5-14/h6-9,12-18H,2-5,10-11H2,1H3/t12?,15-,16+,17-,18+
InChIKeyPLBPYJNFSSZAJL-UVCQQBDGSA-N
MW322.45 g/mol
LogP6.05
Rot. Bonds6

About 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan

2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan (PubChem CID 11870576) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan.

Molecular Properties

Compound Name2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan
PubChem CID11870576
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan
SMILESCC(c1ccc([C@H]2C[C@H]2C2CC2)o1)c1ccc([C@@H]2C[C@@H]2C2CC2)o1
InChIInChI=1S/C22H26O2/c1-12(19-6-8-21(23-19)17-10-15(17)13-2-3-13)20-7-9-22(24-20)18-11-16(18)14-4-5-14/h6-9,12-18H,2-5,10-11H2,1H3/t12?,15-,16+,17-,18+
InChIKeyPLBPYJNFSSZAJL-UVCQQBDGSA-N
XLogP6.05
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan?
The IUPAC name of 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan (CID 11870576) is 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan.
What is the SMILES notation for 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan?
The canonical SMILES for 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan is CC(c1ccc([C@H]2C[C@H]2C2CC2)o1)c1ccc([C@@H]2C[C@@H]2C2CC2)o1.
What is the InChIKey of 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan?
The InChIKey is PLBPYJNFSSZAJL-UVCQQBDGSA-N. The full InChI is InChI=1S/C22H26O2/c1-12(19-6-8-21(23-19)17-10-15(17)13-2-3-13)20-7-9-22(24-20)18-11-16(18)14-4-5-14/h6-9,12-18H,2-5,10-11H2,1H3/t12?,15-,16+,17-,18+.
What are the key properties of 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan?
2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan has a molecular weight of 322.45 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-cyclopropylcyclopropyl]-5-[1-[5-[(1R,2R)-2-cyclopropylcyclopropyl]furan-2-yl]ethyl]furan is sourced from PubChem (CID 11870576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).