5,5-dimethyl-2-propan-2-yloxane;ethane

C12H26O — CID 142101718

IUPAC5,5-dimethyl-2-propan-2-yloxane;ethane
SMILESCC.CC(C)C1CCC(C)(C)CO1
InChIInChI=1S/C10H20O.C2H6/c1-8(2)9-5-6-10(3,4)7-11-9;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyPDBABHJOIWWECF-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.87
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yloxane;ethane

5,5-dimethyl-2-propan-2-yloxane;ethane (PubChem CID 142101718) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yloxane;ethane.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yloxane;ethane
PubChem CID142101718
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5,5-dimethyl-2-propan-2-yloxane;ethane
SMILESCC.CC(C)C1CCC(C)(C)CO1
InChIInChI=1S/C10H20O.C2H6/c1-8(2)9-5-6-10(3,4)7-11-9;1-2/h8-9H,5-7H2,1-4H3;1-2H3
InChIKeyPDBABHJOIWWECF-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-2-propan-2-yloxane;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

2,7-di(propan-2-yl)-1,6-dioxaspiro[4.4]nonane
CID 134997635
2-(bromomethyl)-5,5-dimethyloxane
CID 134690899
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
1-[(7S)-2,2-difluoro-6-oxaspiro[3.5]nonan-7-yl]ethanethiol
CID 170130323
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
2-(2-iodopropyl)-5,5-dimethyl-1,3-dioxane
CID 11437564
1,1-dimethyl-3,4-di(propan-2-yl)cyclohexane
CID 18735015
(2R,5S)-2,5-di(propan-2-yl)oxolane
CID 12641398
1,1,3-trimethyl-5-propan-2-ylcycloheptane
CID 91452397
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yloxane;ethane?
The IUPAC name of 5,5-dimethyl-2-propan-2-yloxane;ethane (CID 142101718) is 5,5-dimethyl-2-propan-2-yloxane;ethane.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yloxane;ethane?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yloxane;ethane is CC.CC(C)C1CCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yloxane;ethane?
The InChIKey is PDBABHJOIWWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C2H6/c1-8(2)9-5-6-10(3,4)7-11-9;1-2/h8-9H,5-7H2,1-4H3;1-2H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yloxane;ethane?
5,5-dimethyl-2-propan-2-yloxane;ethane has a molecular weight of 186.34 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yloxane;ethane is sourced from PubChem (CID 142101718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).