5,5-dimethyloxolan-2-ol;ethane

C8H18O2 — CID 142894626

IUPAC5,5-dimethyloxolan-2-ol;ethane
SMILESCC.CC1(C)CCC(O)O1
InChIInChI=1S/C6H12O2.C2H6/c1-6(2)4-3-5(7)8-6;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyQAOACWPVEBGGIT-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.92
Rot. Bonds

About 5,5-dimethyloxolan-2-ol;ethane

5,5-dimethyloxolan-2-ol;ethane (PubChem CID 142894626) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 5,5-dimethyloxolan-2-ol;ethane.

Molecular Properties

Compound Name5,5-dimethyloxolan-2-ol;ethane
PubChem CID142894626
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name5,5-dimethyloxolan-2-ol;ethane
SMILESCC.CC1(C)CCC(O)O1
InChIInChI=1S/C6H12O2.C2H6/c1-6(2)4-3-5(7)8-6;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyQAOACWPVEBGGIT-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethyloxolan-2-ol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-ethenyl-5-methyloxolan-2-ol
CID 15241028
5,5-di(propan-2-yl)oxolan-2-ol
CID 45096542
CID 89049639
CID 89049639
5-methyl-5-(2-methylprop-2-enyl)oxolan-2-ol
CID 15853902
1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410
5-methoxy-2,2-dimethyloxolane
CID 19753537
5-hexyl-5-methyloxolan-2-ol
CID 134558115
5,6-dimethyloxane-2,5-diol
CID 20542587
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
N-hydroxy-5,5-dimethyloxolane-2-carboxamide
CID 131176914
(2S,5R)-2,5-dihydroxyoxolane-2-carboxylic acid
CID 57223591
1-oxa-8-azaspiro[4.5]decan-2-ol
CID 150619629

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyloxolan-2-ol;ethane?
The IUPAC name of 5,5-dimethyloxolan-2-ol;ethane (CID 142894626) is 5,5-dimethyloxolan-2-ol;ethane.
What is the SMILES notation for 5,5-dimethyloxolan-2-ol;ethane?
The canonical SMILES for 5,5-dimethyloxolan-2-ol;ethane is CC.CC1(C)CCC(O)O1.
What is the InChIKey of 5,5-dimethyloxolan-2-ol;ethane?
The InChIKey is QAOACWPVEBGGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6/c1-6(2)4-3-5(7)8-6;1-2/h5,7H,3-4H2,1-2H3;1-2H3.
What are the key properties of 5,5-dimethyloxolan-2-ol;ethane?
5,5-dimethyloxolan-2-ol;ethane has a molecular weight of 146.23 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyloxolan-2-ol;ethane is sourced from PubChem (CID 142894626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).