2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane

C16H34O — CID 20533593

IUPAC2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane
SMILESCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34O/c1-13(2,3)11-15(7,8)17-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKeySJHRAGSYTZFGMD-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.43
Rot. Bonds4

About 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane

2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane (PubChem CID 20533593) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane
PubChem CID20533593
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane
SMILESCC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34O/c1-13(2,3)11-15(7,8)17-16(9,10)12-14(4,5)6/h11-12H2,1-10H3
InChIKeySJHRAGSYTZFGMD-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

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CID 91752495
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CID 88509908
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CID 21057550
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CID 22061847
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CID 56622419
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CID 57009950
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CID 57190097
CID 57190097

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane?
The IUPAC name of 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane (CID 20533593) is 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane.
What is the SMILES notation for 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane?
The canonical SMILES for 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane is CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane?
The InChIKey is SJHRAGSYTZFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-13(2,3)11-15(7,8)17-16(9,10)12-14(4,5)6/h11-12H2,1-10H3.
What are the key properties of 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane?
2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane has a molecular weight of 242.45 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(2,4,4-trimethylpentan-2-yloxy)pentane is sourced from PubChem (CID 20533593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).