(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

C12H26O — CID 169306082

IUPAC(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESC[C@@H](CCC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H26O/c1-10(13-12(5,6)7)8-9-11(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyGYUUYOAALPLYPX-JTQLQIEISA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds3

About (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 169306082) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID169306082
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESC[C@@H](CCC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H26O/c1-10(13-12(5,6)7)8-9-11(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeyGYUUYOAALPLYPX-JTQLQIEISA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane 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

2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
3-[(2-methylpropan-2-yl)oxy]-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane
CID 155769092
2-(5,5-dimethylhexan-2-yloxy)acetaldehyde
CID 91503820
2,2,8,8-tetramethylnonan-5-ol
CID 19931306
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
2,6,6-trimethylheptan-3-ol
CID 20577986
2,5,5-trimethylhexan-1-ol
CID 3020914
2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 123576567
(2S)-N,N-dimethyl-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]hexanamide
CID 167227163
3-(2,4,4-trimethylpentan-2-yloxy)butan-1-ol
CID 130392369
2-methoxy-N,5,5-trimethylhexan-1-amine
CID 177141375

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (CID 169306082) is (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is C[C@@H](CCC(C)(C)C)OC(C)(C)C.
What is the InChIKey of (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is GYUUYOAALPLYPX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O/c1-10(13-12(5,6)7)8-9-11(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 169306082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).