2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran

C21H24O3 — CID 7057516

IUPAC2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran
SMILESCc1ccc([C@@H]2CCCC(c3ccc(C)o3)(c3ccc(C)o3)C2)o1
InChIInChI=1S/C21H24O3/c1-14-6-9-18(22-14)17-5-4-12-21(13-17,19-10-7-15(2)23-19)20-11-8-16(3)24-20/h6-11,17H,4-5,12-13H2,1-3H3/t17-/m1/s1
InChIKeySGXCGJUVYVGLFV-QGZVFWFLSA-N
MW324.42 g/mol
LogP6.03
Rot. Bonds3

About 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran

2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran (PubChem CID 7057516) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran
PubChem CID7057516
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran
SMILESCc1ccc([C@@H]2CCCC(c3ccc(C)o3)(c3ccc(C)o3)C2)o1
InChIInChI=1S/C21H24O3/c1-14-6-9-18(22-14)17-5-4-12-21(13-17,19-10-7-15(2)23-19)20-11-8-16(3)24-20/h6-11,17H,4-5,12-13H2,1-3H3/t17-/m1/s1
InChIKeySGXCGJUVYVGLFV-QGZVFWFLSA-N
XLogP6.03
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran?
The IUPAC name of 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran (CID 7057516) is 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran.
What is the SMILES notation for 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran?
The canonical SMILES for 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran is Cc1ccc([C@@H]2CCCC(c3ccc(C)o3)(c3ccc(C)o3)C2)o1.
What is the InChIKey of 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran?
The InChIKey is SGXCGJUVYVGLFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24O3/c1-14-6-9-18(22-14)17-5-4-12-21(13-17,19-10-7-15(2)23-19)20-11-8-16(3)24-20/h6-11,17H,4-5,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran?
2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran has a molecular weight of 324.42 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3,3-bis(5-methylfuran-2-yl)cyclohexyl]-5-methylfuran is sourced from PubChem (CID 7057516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).