(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol

C6H10O4 — CID 130761579

IUPAC(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1OC[C@H]2O[C@@H]12
InChIInChI=1S/C6H10O4/c7-1-3(8)5-6-4(10-6)2-9-5/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyNLUOHXZCIXXLMZ-KVTDHHQDSA-N
MW146.14 g/mol
LogP-1.49
Rot. Bonds2

About (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol

(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol (PubChem CID 130761579) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol
PubChem CID130761579
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol
SMILESOC[C@@H](O)[C@H]1OC[C@H]2O[C@@H]12
InChIInChI=1S/C6H10O4/c7-1-3(8)5-6-4(10-6)2-9-5/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyNLUOHXZCIXXLMZ-KVTDHHQDSA-N
XLogP-1.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
CID 3617170
(3S)-2-[(1R)-1,2-dihydroxyethyl]oxane-3,4,5-triol
CID 67951819
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(1R,2R,5S)-2-butan-2-yl-3,6-dioxabicyclo[3.1.0]hexane
CID 88956071
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3-methylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 20662858
1-[2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 11502517
(1R)-1-[(2S,4R,4aR,6R,8aS)-2,6-bis(4-methoxyphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 102288303
1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol
CID 22967114
(1R)-1-[(4R,4aR,8aS)-6-(4-fluorophenyl)-2-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 23557643
(1R)-1-[(4R,4aR,8aS)-2-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 18666592
1-(2-cyclohexa-1,5-dien-1-yl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
CID 143658402
1-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
CID 142076654

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol (CID 130761579) is (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol is OC[C@@H](O)[C@H]1OC[C@H]2O[C@@H]12.
What is the InChIKey of (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol?
The InChIKey is NLUOHXZCIXXLMZ-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H10O4/c7-1-3(8)5-6-4(10-6)2-9-5/h3-8H,1-2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol?
(1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol has a molecular weight of 146.14 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R,5R)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 130761579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).