(2-tert-butyl-1,3-dioxolan-4-yl)methanol

C8H16O3 — CID 21060301

IUPAC(2-tert-butyl-1,3-dioxolan-4-yl)methanol
SMILESCC(C)(C)C1OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-8(2,3)7-10-5-6(4-9)11-7/h6-7,9H,4-5H2,1-3H3
InChIKeyLTHGZVSYWOJASQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds1

About (2-tert-butyl-1,3-dioxolan-4-yl)methanol

(2-tert-butyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21060301) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2-tert-butyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-dioxolan-4-yl)methanol
PubChem CID21060301
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2-tert-butyl-1,3-dioxolan-4-yl)methanol
SMILESCC(C)(C)C1OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-8(2,3)7-10-5-6(4-9)11-7/h6-7,9H,4-5H2,1-3H3
InChIKeyLTHGZVSYWOJASQ-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-tert-butyl-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-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-dioxolan-4-yl)methanol (CID 21060301) is (2-tert-butyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-dioxolan-4-yl)methanol is CC(C)(C)C1OCC(CO)O1.
What is the InChIKey of (2-tert-butyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is LTHGZVSYWOJASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,3)7-10-5-6(4-9)11-7/h6-7,9H,4-5H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-dioxolan-4-yl)methanol?
(2-tert-butyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21060301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).