[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C10H20O4 — CID 2829038

IUPAC[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC(C)(C)C1(C)OC(CO)C(CO)O1
InChIInChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyQBEZMVAFAVJQQP-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.52
Rot. Bonds2

About [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 2829038) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID2829038
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC(C)(C)C1(C)OC(CO)C(CO)O1
InChIInChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3
InChIKeyQBEZMVAFAVJQQP-UHFFFAOYSA-N
XLogP0.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-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 [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 2829038) is [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC(C)(C)C1(C)OC(CO)C(CO)O1.
What is the InChIKey of [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is QBEZMVAFAVJQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8,11-12H,5-6H2,1-4H3.
What are the key properties of [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 2829038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).