2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol

C13H24O3 — CID 114622182

IUPAC2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O3/c1-9-13(14,6-7-15-9)10-8-11(2,3)16-12(10,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyLUDNZLSLWNJNTB-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.12
Rot. Bonds1

About 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol (PubChem CID 114622182) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol
PubChem CID114622182
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol
SMILESCC1OCCC1(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H24O3/c1-9-13(14,6-7-15-9)10-8-11(2,3)16-12(10,4)5/h9-10,14H,6-8H2,1-5H3
InChIKeyLUDNZLSLWNJNTB-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
CID 114621870
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)thian-3-ol
CID 114622120
2-propan-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114622178
3,3,5,5-tetramethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114622197
4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine
CID 114622285
4-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114622240
4-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114621893
1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-amine
CID 114622245
4-(propylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114624346
(2R,3S)-3-tert-butyl-2-methyloxolan-3-ol
CID 170415710
4,4-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)cycloheptan-1-amine
CID 114622303
1-(bromomethyl)-2,2,7-trimethyl-6-oxaspiro[2.4]heptane
CID 126974799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol?
The IUPAC name of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol (CID 114622182) is 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol?
The canonical SMILES for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol is CC1OCCC1(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol?
The InChIKey is LUDNZLSLWNJNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-9-13(14,6-7-15-9)10-8-11(2,3)16-12(10,4)5/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol?
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol has a molecular weight of 228.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolan-3-ol is sourced from PubChem (CID 114622182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).