(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol

C8H14O6 — CID 134893682

IUPAC(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol
SMILESCO[C@H](O)[C@]1(OO)C=C[C@](C)(OC)O1
InChIInChI=1S/C8H14O6/c1-7(12-3)4-5-8(13-7,14-10)6(9)11-2/h4-6,9-10H,1-3H3/t6-,7+,8+/m0/s1
InChIKeyVFYZYQMQTUGUEU-XLPZGREQSA-N
MW206.19 g/mol
LogP0.09
Rot. Bonds4

About (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol

(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol (PubChem CID 134893682) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol.

Molecular Properties

Compound Name(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol
PubChem CID134893682
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol
SMILESCO[C@H](O)[C@]1(OO)C=C[C@](C)(OC)O1
InChIInChI=1S/C8H14O6/c1-7(12-3)4-5-8(13-7,14-10)6(9)11-2/h4-6,9-10H,1-3H3/t6-,7+,8+/m0/s1
InChIKeyVFYZYQMQTUGUEU-XLPZGREQSA-N
XLogP0.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
5-Methyl-2,5-dimethoxy-2-dimethoxymethyl-2,5-dihydrofuran
CID 12770202
6-(hydroxymethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 13323017
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
CID 46186038
(4-Ethenyl-5-ethoxy-2,5-dihydrofuran-2-yl)methanol
CID 90832799
(Z)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
CID 134982544
(E)-4-(4,4-dimethyl-1,3-dioxolan-2-yl)but-3-en-1-ol
CID 134995178
(2,5-Dimethoxy-5-methylfuran-2-yl)methanol
CID 12389450
2-methyl-6-prop-2-enoxy-3,6-dihydro-2H-pyran-3-ol
CID 85247166

Frequently Asked Questions

What is the IUPAC name of (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol?
The IUPAC name of (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol (CID 134893682) is (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol.
What is the SMILES notation for (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol?
The canonical SMILES for (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol is CO[C@H](O)[C@]1(OO)C=C[C@](C)(OC)O1.
What is the InChIKey of (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol?
The InChIKey is VFYZYQMQTUGUEU-XLPZGREQSA-N. The full InChI is InChI=1S/C8H14O6/c1-7(12-3)4-5-8(13-7,14-10)6(9)11-2/h4-6,9-10H,1-3H3/t6-,7+,8+/m0/s1.
What are the key properties of (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol?
(S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol has a molecular weight of 206.19 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2R,5R)-2-hydroperoxy-5-methoxy-5-methylfuran-2-yl]-methoxymethanol is sourced from PubChem (CID 134893682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).