3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane

C16H34O — CID 56630305

IUPAC3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane
SMILESCCC(CC)C(C)(C)OC(C)(C)C(CC)CC
InChIInChI=1S/C16H34O/c1-9-13(10-2)15(5,6)17-16(7,8)14(11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyZZJMVWHXPRFXNS-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds8

About 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane

3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane (PubChem CID 56630305) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane.

Molecular Properties

Compound Name3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane
PubChem CID56630305
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane
SMILESCCC(CC)C(C)(C)OC(C)(C)C(CC)CC
InChIInChI=1S/C16H34O/c1-9-13(10-2)15(5,6)17-16(7,8)14(11-3)12-4/h13-14H,9-12H2,1-8H3
InChIKeyZZJMVWHXPRFXNS-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl-1,1-dimethylpropylether
CID 19786075
Diisopropylethyl ether
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2,2,3-Trimethyl-3-(2,2,3-trimethylpentan-3-yloxy)pentane
CID 88509908
3-(2,3-Dimethylpentan-3-yloxy)-2,3-dimethylpentane
CID 20137647
2-(2,3-Dimethylhexan-2-yloxy)-2,3-dimethylhexane
CID 20137649
4-(3,5-Dimethylhexan-3-yloxy)-2,4-dimethylhexane
CID 20137650
2,2,3,4,4-Pentamethyloxetane
CID 20682565
2-Methoxy-2,3-dimethylpentane
CID 21185398
2,2,3-Trimethyl-3-propan-2-yloxirane
CID 21243539
4-[2-(2,5-Dimethyl-3-propylhexan-2-yl)oxypropan-2-yl]-2-methylheptane
CID 21941024
2-(2,4-Dimethylpentan-2-yloxy)-2,4-dimethylpentane
CID 54208782
2-(2,5-Dimethylhexan-2-yloxy)-2,5-dimethylhexane
CID 56619095

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane?
The IUPAC name of 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane (CID 56630305) is 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane.
What is the SMILES notation for 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane?
The canonical SMILES for 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane is CCC(CC)C(C)(C)OC(C)(C)C(CC)CC.
What is the InChIKey of 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane?
The InChIKey is ZZJMVWHXPRFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-9-13(10-2)15(5,6)17-16(7,8)14(11-3)12-4/h13-14H,9-12H2,1-8H3.
What are the key properties of 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane?
3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane has a molecular weight of 242.45 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-ethyl-2-methylpentan-2-yl)oxy-2-methylpentane is sourced from PubChem (CID 56630305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).