[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol

C6H10O3 — CID 16727774

IUPAC[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
SMILESC[C@@H]1C=CC(CO)OO1
InChIInChI=1S/C6H10O3/c1-5-2-3-6(4-7)9-8-5/h2-3,5-7H,4H2,1H3/t5-,6?/m1/s1
InChIKeyAWSOGDJVCAULKU-LWOQYNTDSA-N
MW130.14 g/mol
LogP0.25
Rot. Bonds1

About [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol

[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol (PubChem CID 16727774) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol.

Molecular Properties

Compound Name[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
PubChem CID16727774
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
SMILESC[C@@H]1C=CC(CO)OO1
InChIInChI=1S/C6H10O3/c1-5-2-3-6(4-7)9-8-5/h2-3,5-7H,4H2,1H3/t5-,6?/m1/s1
InChIKeyAWSOGDJVCAULKU-LWOQYNTDSA-N
XLogP0.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Cis-1,2-dihydrocatechol
CID 176951
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
Safynol
CID 6442707
(1S,2S)-cyclohexa-3,5-diene-1,2-diol
CID 152287
(3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 131751993
[(3R,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol
CID 12160124
3,11-Tridecadiene-5,7,9-triyne-1,2-diol
CID 6123027
CID 3036540
CID 3036540
(2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol
CID 5281155
2,6-Octadiene-4,5-diol
CID 5366238
1,5-Heptadiene-3,4-diol
CID 5366240

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol?
The IUPAC name of [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol (CID 16727774) is [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol.
What is the SMILES notation for [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol?
The canonical SMILES for [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol is C[C@@H]1C=CC(CO)OO1.
What is the InChIKey of [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol?
The InChIKey is AWSOGDJVCAULKU-LWOQYNTDSA-N. The full InChI is InChI=1S/C6H10O3/c1-5-2-3-6(4-7)9-8-5/h2-3,5-7H,4H2,1H3/t5-,6?/m1/s1.
What are the key properties of [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol?
[(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol has a molecular weight of 130.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]methanol is sourced from PubChem (CID 16727774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).