[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol

C12H22O7 — CID 11623271

IUPAC[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol
SMILESCC1(CO)OCC(COCC2COC(C)(CO)O2)O1
InChIInChI=1S/C12H22O7/c1-11(7-13)16-5-9(18-11)3-15-4-10-6-17-12(2,8-14)19-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeyFPJNGBWOOFHOEX-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.75
Rot. Bonds6

About [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol

[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol (PubChem CID 11623271) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol
PubChem CID11623271
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol
SMILESCC1(CO)OCC(COCC2COC(C)(CO)O2)O1
InChIInChI=1S/C12H22O7/c1-11(7-13)16-5-9(18-11)3-15-4-10-6-17-12(2,8-14)19-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeyFPJNGBWOOFHOEX-UHFFFAOYSA-N
XLogP-0.75
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol (CID 11623271) is [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol is CC1(CO)OCC(COCC2COC(C)(CO)O2)O1.
What is the InChIKey of [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol?
The InChIKey is FPJNGBWOOFHOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-11(7-13)16-5-9(18-11)3-15-4-10-6-17-12(2,8-14)19-10/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol?
[4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol has a molecular weight of 278.30 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methoxymethyl]-2-methyl-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 11623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).