[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol

C8H16O4 — CID 10986806

IUPAC[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
SMILESCC1(C)O[C@H](CO)C[C@H](CO)O1
InChIInChI=1S/C8H16O4/c1-8(2)11-6(4-9)3-7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+
InChIKeyJUUICQADRSXSHI-KNVOCYPGSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds2

About [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol

[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol (PubChem CID 10986806) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
PubChem CID10986806
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
SMILESCC1(C)O[C@H](CO)C[C@H](CO)O1
InChIInChI=1S/C8H16O4/c1-8(2)11-6(4-9)3-7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+
InChIKeyJUUICQADRSXSHI-KNVOCYPGSA-N
XLogP-0.12
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol (CID 10986806) is [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol is CC1(C)O[C@H](CO)C[C@H](CO)O1.
What is the InChIKey of [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The InChIKey is JUUICQADRSXSHI-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(2)11-6(4-9)3-7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7+.
What are the key properties of [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol has a molecular weight of 176.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 10986806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).