2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan

C14H24O7 — CID 158431138

IUPAC2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
SMILESCOC1C=CC(C)(OC)O1.COC1OC(C)(OC)C2OC12
InChIInChI=1S/C7H12O4.C7H12O3/c1-7(9-3)5-4(10-5)6(8-2)11-7;1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3;4-6H,1-3H3
InChIKeyHBRBUWUTTUSADQ-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.03
Rot. Bonds4

About 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan

2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan (PubChem CID 158431138) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan.

Molecular Properties

Compound Name2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
PubChem CID158431138
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan
SMILESCOC1C=CC(C)(OC)O1.COC1OC(C)(OC)C2OC12
InChIInChI=1S/C7H12O4.C7H12O3/c1-7(9-3)5-4(10-5)6(8-2)11-7;1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3;4-6H,1-3H3
InChIKeyHBRBUWUTTUSADQ-UHFFFAOYSA-N
XLogP1.03
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-2,5-dimethoxy-5-methyl-2H-furan
CID 7171182
[(2S,5R)-2,5-dimethoxy-2H-furan-5-yl]methanol
CID 86312017
2,5-dimethoxy-5-(methoxymethyl)-2H-furan
CID 19900861
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
2-(2,5-dimethoxy-2H-furan-5-yl)ethanamine
CID 102568268
2-[(2R,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanamine
CID 99988421
methyl 2-methoxy-5-methyl-2H-furan-5-carboperoxoate
CID 19354459
1-(2,5-dimethoxy-2H-furan-5-yl)-2-trityloxypropan-1-ol
CID 14462308
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
N-[2-(2,5-dimethoxy-2H-furan-5-yl)ethyl]acetamide
CID 102567645
(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
CID 129368437

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan?
The IUPAC name of 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan (CID 158431138) is 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan.
What is the SMILES notation for 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan?
The canonical SMILES for 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan is COC1C=CC(C)(OC)O1.COC1OC(C)(OC)C2OC12.
What is the InChIKey of 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan?
The InChIKey is HBRBUWUTTUSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C7H12O3/c1-7(9-3)5-4(10-5)6(8-2)11-7;1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan?
2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan has a molecular weight of 304.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-2-methyl-3,6-dioxabicyclo[3.1.0]hexane;2,5-dimethoxy-5-methyl-2H-furan is sourced from PubChem (CID 158431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).