4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C11H22O3 — CID 122537677

IUPAC4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC1OC(COC(C)(C)C)C(O)C1C
InChIInChI=1S/C11H22O3/c1-7-8(2)14-9(10(7)12)6-13-11(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyJNZCYTYXOORTJC-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds2

About 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 122537677) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID122537677
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC1OC(COC(C)(C)C)C(O)C1C
InChIInChI=1S/C11H22O3/c1-7-8(2)14-9(10(7)12)6-13-11(3,4)5/h7-10,12H,6H2,1-5H3
InChIKeyJNZCYTYXOORTJC-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol 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 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 122537677) is 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is CC1OC(COC(C)(C)C)C(O)C1C.
What is the InChIKey of 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is JNZCYTYXOORTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-7-8(2)14-9(10(7)12)6-13-11(3,4)5/h7-10,12H,6H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 122537677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).