2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol

C10H20O3 — CID 127015507

IUPAC2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
SMILESCC(C)OCC1(O)CC(C)OC1C
InChIInChI=1S/C10H20O3/c1-7(2)12-6-10(11)5-8(3)13-9(10)4/h7-9,11H,5-6H2,1-4H3
InChIKeyOJDVTNIYEPEPRC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds3

About 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol

2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol (PubChem CID 127015507) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
PubChem CID127015507
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
SMILESCC(C)OCC1(O)CC(C)OC1C
InChIInChI=1S/C10H20O3/c1-7(2)12-6-10(11)5-8(3)13-9(10)4/h7-9,11H,5-6H2,1-4H3
InChIKeyOJDVTNIYEPEPRC-UHFFFAOYSA-N
XLogP1.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-Tetramethyloxolan-3-ol
CID 34730
5,5-Dimethyloxolan-3-ol
CID 34744
1,4-Anhydro-2,5-dideoxy-1,1-diethylpentitol
CID 23195
1,4-Anhydro-2,5-dideoxy-1-ethyl-1-propylpentitol
CID 23197
3-Furanol, tetrahydro-2,5,5-trimethyl-
CID 34714
3-Furanol, tetrahydro-5,5-dimethyl-2-ethyl-
CID 34716
1,4-Anhydro-2,5-dideoxy-1,4-diethylpentitol
CID 34720
2-[5-(1-Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propanol
CID 380759
1,4-Anhydro-2,5-dideoxy-1-methyl-1-propylpentitol
CID 23196
3-Ethyl-2,2,5,5-tetramethyloxolan-3-ol
CID 32273
3-Furanol, tetrahydro-5,5-diethyl-
CID 34707
2,5-Anhydro-1,3-dideoxy-2-propylpentitol
CID 34709

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol?
The IUPAC name of 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol (CID 127015507) is 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol.
What is the SMILES notation for 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol?
The canonical SMILES for 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol is CC(C)OCC1(O)CC(C)OC1C.
What is the InChIKey of 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol?
The InChIKey is OJDVTNIYEPEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)12-6-10(11)5-8(3)13-9(10)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol?
2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol is sourced from PubChem (CID 127015507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).