(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one

C15H24O4 — CID 70279242

IUPAC(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)CO
InChIInChI=1S/C15H24O4/c1-10(6-5-7-11(2)9-16)8-13-14(18-4)12(3)15(17)19-13/h6,11,13,16H,5,7-9H2,1-4H3/b10-6+/t11-,13+/m0/s1
InChIKeyVVSIQFQHZHNXPV-AMLRMPNFSA-N
MW268.35 g/mol
LogP2.58
Rot. Bonds7

About (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one

(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one (PubChem CID 70279242) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one
PubChem CID70279242
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one
SMILESCOC1=C(C)C(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)CO
InChIInChI=1S/C15H24O4/c1-10(6-5-7-11(2)9-16)8-13-14(18-4)12(3)15(17)19-13/h6,11,13,16H,5,7-9H2,1-4H3/b10-6+/t11-,13+/m0/s1
InChIKeyVVSIQFQHZHNXPV-AMLRMPNFSA-N
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one (CID 70279242) is (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one is COC1=C(C)C(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)CO.
What is the InChIKey of (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one?
The InChIKey is VVSIQFQHZHNXPV-AMLRMPNFSA-N. The full InChI is InChI=1S/C15H24O4/c1-10(6-5-7-11(2)9-16)8-13-14(18-4)12(3)15(17)19-13/h6,11,13,16H,5,7-9H2,1-4H3/b10-6+/t11-,13+/m0/s1.
What are the key properties of (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one?
(2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one has a molecular weight of 268.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,6S)-7-hydroxy-2,6-dimethylhept-2-enyl]-3-methoxy-4-methyl-2H-furan-5-one is sourced from PubChem (CID 70279242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).