3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol

C14H28O2 — CID 114622056

IUPAC3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
SMILESCC(C)(C)CC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O2/c1-12(2,3)9-11(15)10-8-13(4,5)16-14(10,6)7/h10-11,15H,8-9H2,1-7H3
InChIKeyGURLNLWCXRZHBZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds2

About 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol

3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol (PubChem CID 114622056) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
PubChem CID114622056
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
SMILESCC(C)(C)CC(O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H28O2/c1-12(2,3)9-11(15)10-8-13(4,5)16-14(10,6)7/h10-11,15H,8-9H2,1-7H3
InChIKeyGURLNLWCXRZHBZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
3-methylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622050
1-(2,2,5,5-tetramethyloxolan-3-yl)decan-1-ol
CID 115838780
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
2-(oxolan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622736
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
[1-(2-methylpropyl)cyclopentyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 115838851
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
2-methyl-2-piperidin-1-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622678

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol (CID 114622056) is 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol is CC(C)(C)CC(O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol?
The InChIKey is GURLNLWCXRZHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-12(2,3)9-11(15)10-8-13(4,5)16-14(10,6)7/h10-11,15H,8-9H2,1-7H3.
What are the key properties of 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol?
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol is sourced from PubChem (CID 114622056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).