4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane

C17H36O2 — CID 88978746

IUPAC4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
SMILESCCC(C)CC(C)OC(C)(C)CCOC(C)(C)CC
InChIInChI=1S/C17H36O2/c1-9-14(3)13-15(4)19-17(7,8)11-12-18-16(5,6)10-2/h14-15H,9-13H2,1-8H3
InChIKeyHJLRTACSGWTKLO-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.20
Rot. Bonds10

About 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane

4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane (PubChem CID 88978746) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
PubChem CID88978746
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane
SMILESCCC(C)CC(C)OC(C)(C)CCOC(C)(C)CC
InChIInChI=1S/C17H36O2/c1-9-14(3)13-15(4)19-17(7,8)11-12-18-16(5,6)10-2/h14-15H,9-13H2,1-8H3
InChIKeyHJLRTACSGWTKLO-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-1,3-bis(2-methylpropoxy)pentane
CID 6850793
1,3-Dimethoxy-4-methylhexane
CID 17927660
4-(3,5-Dimethylheptan-4-yloxy)-3,5-dimethylheptane
CID 20137643
3-(2,4-Dimethylhexan-3-yloxy)-2,4-dimethylhexane
CID 20137651
3-Ethyl-4-(4-ethylhexan-3-yloxy)hexane
CID 20137658
4-Methyl-1-(3-propan-2-yloxypropoxy)pentane
CID 20752335
2-Methoxy-3-(methoxymethyl)-5-methylhexane
CID 21622859
3-Methyl-2-(3-methylhexan-2-yloxy)hexane
CID 22151634
3-Methyl-2-(3-methylheptan-2-yloxy)heptane
CID 22151664
1,3-Dibutoxy-2,2,4-trimethylpentane
CID 22372600
3,3-Bis(butan-2-yloxymethyl)-2,5-dimethylhexane
CID 22372613
3-(Butan-2-yloxymethyl)-3-(methoxymethyl)-2,5-dimethylhexane
CID 22372614

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The IUPAC name of 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane (CID 88978746) is 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane.
What is the SMILES notation for 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The canonical SMILES for 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane is CCC(C)CC(C)OC(C)(C)CCOC(C)(C)CC.
What is the InChIKey of 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
The InChIKey is HJLRTACSGWTKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-9-14(3)13-15(4)19-17(7,8)11-12-18-16(5,6)10-2/h14-15H,9-13H2,1-8H3.
What are the key properties of 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane?
4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane has a molecular weight of 272.47 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyhexane is sourced from PubChem (CID 88978746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).