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

C8H16O4 — CID 11252301

IUPAC[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
SMILESCC1(C)OCCC(CO)(CO)O1
InChIInChI=1S/C8H16O4/c1-7(2)11-4-3-8(5-9,6-10)12-7/h9-10H,3-6H2,1-2H3
InChIKeySGQOKUXEMYYZOJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.12
Rot. Bonds2

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

[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol (PubChem CID 11252301) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
PubChem CID11252301
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
SMILESCC1(C)OCCC(CO)(CO)O1
InChIInChI=1S/C8H16O4/c1-7(2)11-4-3-8(5-9,6-10)12-7/h9-10H,3-6H2,1-2H3
InChIKeySGQOKUXEMYYZOJ-UHFFFAOYSA-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 [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol (CID 11252301) is [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol is CC1(C)OCCC(CO)(CO)O1.
What is the InChIKey of [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
The InChIKey is SGQOKUXEMYYZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2)11-4-3-8(5-9,6-10)12-7/h9-10H,3-6H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol?
[4-(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 [4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol is sourced from PubChem (CID 11252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).