(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane

C6H10O4 — CID 129368437

IUPAC(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
SMILESCO[C@@H]1O[C@@H](OC)[C@@H]2O[C@H]12
InChIInChI=1S/C6H10O4/c1-7-5-3-4(9-3)6(8-2)10-5/h3-6H,1-2H3/t3-,4+,5-,6-/m1/s1
InChIKeyWRQCLMMIUNEMJC-JGWLITMVSA-N
MW146.14 g/mol
LogP-0.27
Rot. Bonds2

About (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane

(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane (PubChem CID 129368437) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
PubChem CID129368437
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
SMILESCO[C@@H]1O[C@@H](OC)[C@@H]2O[C@H]12
InChIInChI=1S/C6H10O4/c1-7-5-3-4(9-3)6(8-2)10-5/h3-6H,1-2H3/t3-,4+,5-,6-/m1/s1
InChIKeyWRQCLMMIUNEMJC-JGWLITMVSA-N
XLogP-0.27
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572
[(1S,2S,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 98058853
[(1R,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11147798
[(1S,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 124541021
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
2,3,4,5,6-pentamethoxyoxane
CID 568209
(2R,4S)-2-(butoxymethyl)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexane
CID 90346827
4,5-dimethoxy-2-methyl-1,3-dioxolane
CID 66843015
(1S,2S,5S,6S)-2-methoxy-3,7-dioxabicyclo[4.1.0]heptane-5-carboxamide
CID 131124075
8-methoxy-3-methyl-2,4,7-trioxabicyclo[4.3.1]decane-9,10-diol
CID 552297
(4aR,6S,7R,8S,8aS)-6-methoxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102240590
(1R,2R,4S,5R,6S)-2-(hydroxymethyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 102017861

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane (CID 129368437) is (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane is CO[C@@H]1O[C@@H](OC)[C@@H]2O[C@H]12.
What is the InChIKey of (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is WRQCLMMIUNEMJC-JGWLITMVSA-N. The full InChI is InChI=1S/C6H10O4/c1-7-5-3-4(9-3)6(8-2)10-5/h3-6H,1-2H3/t3-,4+,5-,6-/m1/s1.
What are the key properties of (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane?
(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 146.14 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 129368437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).