5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol

C11H20O3 — CID 164644045

IUPAC5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol
SMILESCC1CC(O)(CCC2CCCO2)CO1
InChIInChI=1S/C11H20O3/c1-9-7-11(12,8-14-9)5-4-10-3-2-6-13-10/h9-10,12H,2-8H2,1H3
InChIKeyJSFDNJQWSWWPLF-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.49
Rot. Bonds3

About 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol

5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol (PubChem CID 164644045) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol
PubChem CID164644045
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol
SMILESCC1CC(O)(CCC2CCCO2)CO1
InChIInChI=1S/C11H20O3/c1-9-7-11(12,8-14-9)5-4-10-3-2-6-13-10/h9-10,12H,2-8H2,1H3
InChIKeyJSFDNJQWSWWPLF-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
1-[2-(oxan-2-yl)ethyl]cyclobutan-1-ol
CID 115073640
6-[2-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-6-ol
CID 79331777
1-methyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
CID 65161962
2,2-dimethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-ol
CID 79847009
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
[2-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-yl]methanol
CID 114535585
3-ethoxy-1-[3-(oxolan-2-yl)propyl]cyclobutan-1-ol
CID 106823544
1-[2-(oxan-2-yl)ethyl]-2-propylcyclopropan-1-ol
CID 79332139

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol?
The IUPAC name of 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol (CID 164644045) is 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol.
What is the SMILES notation for 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol?
The canonical SMILES for 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol is CC1CC(O)(CCC2CCCO2)CO1.
What is the InChIKey of 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol?
The InChIKey is JSFDNJQWSWWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9-7-11(12,8-14-9)5-4-10-3-2-6-13-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol?
5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol has a molecular weight of 200.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(oxolan-2-yl)ethyl]oxolan-3-ol is sourced from PubChem (CID 164644045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).