(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran

C8H14O3 — CID 11105629

IUPAC(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran
SMILESCOC(OC)[C@H]1C=C[C@H](C)O1
InChIInChI=1S/C8H14O3/c1-6-4-5-7(11-6)8(9-2)10-3/h4-8H,1-3H3/t6-,7+/m0/s1
InChIKeyGVAXTPYAAHQWSC-NKWVEPMBSA-N
MW158.20 g/mol
LogP0.95
Rot. Bonds3

About (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran

(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran (PubChem CID 11105629) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran
PubChem CID11105629
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran
SMILESCOC(OC)[C@H]1C=C[C@H](C)O1
InChIInChI=1S/C8H14O3/c1-6-4-5-7(11-6)8(9-2)10-3/h4-8H,1-3H3/t6-,7+/m0/s1
InChIKeyGVAXTPYAAHQWSC-NKWVEPMBSA-N
XLogP0.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran?
The IUPAC name of (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran (CID 11105629) is (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran.
What is the SMILES notation for (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran?
The canonical SMILES for (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran is COC(OC)[C@H]1C=C[C@H](C)O1.
What is the InChIKey of (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran?
The InChIKey is GVAXTPYAAHQWSC-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-4-5-7(11-6)8(9-2)10-3/h4-8H,1-3H3/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran?
(2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran has a molecular weight of 158.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(dimethoxymethyl)-5-methyl-2,5-dihydrofuran is sourced from PubChem (CID 11105629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).