4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol

C6H12O4 — CID 14134374

IUPAC4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
SMILESCC1OCC(O)C(CO)O1
InChIInChI=1S/C6H12O4/c1-4-9-3-5(8)6(2-7)10-4/h4-8H,2-3H2,1H3
InChIKeySHFQFRSQYXYSFN-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.90
Rot. Bonds1

About 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol

4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol (PubChem CID 14134374) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
PubChem CID14134374
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol
SMILESCC1OCC(O)C(CO)O1
InChIInChI=1S/C6H12O4/c1-4-9-3-5(8)6(2-7)10-4/h4-8H,2-3H2,1H3
InChIKeySHFQFRSQYXYSFN-UHFFFAOYSA-N
XLogP-0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol
CID 145059775
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
CID 161264357
CID 161264357
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
CID 129085380
(4aR,7S,8R,8aS)-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 91271052
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol?
The IUPAC name of 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol (CID 14134374) is 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol?
The canonical SMILES for 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol is CC1OCC(O)C(CO)O1.
What is the InChIKey of 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol?
The InChIKey is SHFQFRSQYXYSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-4-9-3-5(8)6(2-7)10-4/h4-8H,2-3H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol?
4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol has a molecular weight of 148.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methyl-1,3-dioxan-5-ol is sourced from PubChem (CID 14134374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).