1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one

C15H22O3 — CID 11054069

IUPAC1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)C[C@@]1(C)CC[C@H](c2ccoc2)O1
InChIInChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15-/m1/s1
InChIKeyWOFDWNOSFDVCDF-HUUCEWRRSA-N
MW250.34 g/mol
LogP3.90
Rot. Bonds5

About 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one

1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one (PubChem CID 11054069) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
PubChem CID11054069
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)C[C@@]1(C)CC[C@H](c2ccoc2)O1
InChIInChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15-/m1/s1
InChIKeyWOFDWNOSFDVCDF-HUUCEWRRSA-N
XLogP3.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one (CID 11054069) is 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one is CC(C)CC(=O)C[C@@]1(C)CC[C@H](c2ccoc2)O1.
What is the InChIKey of 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one?
The InChIKey is WOFDWNOSFDVCDF-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one?
1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one is sourced from PubChem (CID 11054069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).