2,2,5-trimethyl-5-(3-methylbutoxy)hexane

C14H30O — CID 123343377

IUPAC2,2,5-trimethyl-5-(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHZZOTFHQMKNEE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.65
Rot. Bonds6

About 2,2,5-trimethyl-5-(3-methylbutoxy)hexane

2,2,5-trimethyl-5-(3-methylbutoxy)hexane (PubChem CID 123343377) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-(3-methylbutoxy)hexane.

Molecular Properties

Compound Name2,2,5-trimethyl-5-(3-methylbutoxy)hexane
PubChem CID123343377
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2,5-trimethyl-5-(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)(C)CCC(C)(C)C
InChIInChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyGHZZOTFHQMKNEE-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,5-trimethyl-5-(3-methylbutoxy)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-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
2,5-dimethyl-2,5-bis(3-methylbutylperoxy)hexane
CID 126622821
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
CID 178134897
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
5-(3,3-dimethylbutyl)-2,2,8,8-tetramethyl-5-(3-methylbutyl)nonane
CID 167654054
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The IUPAC name of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane (CID 123343377) is 2,2,5-trimethyl-5-(3-methylbutoxy)hexane.
What is the SMILES notation for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The canonical SMILES for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane is CC(C)CCOC(C)(C)CCC(C)(C)C.
What is the InChIKey of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
The InChIKey is GHZZOTFHQMKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-12(2)8-11-15-14(6,7)10-9-13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 2,2,5-trimethyl-5-(3-methylbutoxy)hexane?
2,2,5-trimethyl-5-(3-methylbutoxy)hexane has a molecular weight of 214.39 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-(3-methylbutoxy)hexane is sourced from PubChem (CID 123343377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).