2-methyl-2,5-bis(3-methylbutoxy)hexane

C17H36O2 — CID 90290201

IUPAC2-methyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3
InChIKeyDQVOLPVVAHNZMO-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.06
Rot. Bonds11

About 2-methyl-2,5-bis(3-methylbutoxy)hexane

2-methyl-2,5-bis(3-methylbutoxy)hexane (PubChem CID 90290201) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2-methyl-2,5-bis(3-methylbutoxy)hexane.

Molecular Properties

Compound Name2-methyl-2,5-bis(3-methylbutoxy)hexane
PubChem CID90290201
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2-methyl-2,5-bis(3-methylbutoxy)hexane
SMILESCC(C)CCOC(C)CCC(C)(C)OCCC(C)C
InChIInChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3
InChIKeyDQVOLPVVAHNZMO-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2,5-bis(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

2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
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
1-(4-bromobutan-2-yloxy)-3-methylbutane
CID 131855692
1-(2,5-dimethylhexan-2-yloxy)propan-2-ol
CID 142712433
3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide
CID 176948813
2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574576
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The IUPAC name of 2-methyl-2,5-bis(3-methylbutoxy)hexane (CID 90290201) is 2-methyl-2,5-bis(3-methylbutoxy)hexane.
What is the SMILES notation for 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The canonical SMILES for 2-methyl-2,5-bis(3-methylbutoxy)hexane is CC(C)CCOC(C)CCC(C)(C)OCCC(C)C.
What is the InChIKey of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
The InChIKey is DQVOLPVVAHNZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-14(2)9-12-18-16(5)8-11-17(6,7)19-13-10-15(3)4/h14-16H,8-13H2,1-7H3.
What are the key properties of 2-methyl-2,5-bis(3-methylbutoxy)hexane?
2-methyl-2,5-bis(3-methylbutoxy)hexane has a molecular weight of 272.47 g/mol, XLogP of 5.06, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-bis(3-methylbutoxy)hexane is sourced from PubChem (CID 90290201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).