(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan

C7H12O3 — CID 7171182

IUPAC(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
SMILESCO[C@@H]1C=C[C@](C)(OC)O1
InChIInChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3/t6-,7+/m0/s1
InChIKeyODARVONGEVVSAG-NKWVEPMBSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds2

About (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan

(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan (PubChem CID 7171182) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
PubChem CID7171182
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
SMILESCO[C@@H]1C=C[C@](C)(OC)O1
InChIInChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3/t6-,7+/m0/s1
InChIKeyODARVONGEVVSAG-NKWVEPMBSA-N
XLogP0.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan?
The IUPAC name of (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan (CID 7171182) is (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan.
What is the SMILES notation for (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan?
The canonical SMILES for (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan is CO[C@@H]1C=C[C@](C)(OC)O1.
What is the InChIKey of (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan?
The InChIKey is ODARVONGEVVSAG-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan?
(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan has a molecular weight of 144.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethoxy-5-methyl-2H-furan is sourced from PubChem (CID 7171182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).