2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane

C18H38O — CID 57009950

IUPAC2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane
SMILESCC(C(C)(C)C)C(C)(C)OC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38O/c1-13(15(3,4)5)17(9,10)19-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3
InChIKeyLMFRHHQVEGANCO-UHFFFAOYSA-N
MW270.50 g/mol
LogP5.92
Rot. Bonds4

About 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane

2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane (PubChem CID 57009950) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane.

Molecular Properties

Compound Name2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane
PubChem CID57009950
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane
SMILESCC(C(C)(C)C)C(C)(C)OC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C18H38O/c1-13(15(3,4)5)17(9,10)19-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3
InChIKeyLMFRHHQVEGANCO-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane?
The IUPAC name of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane (CID 57009950) is 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane.
What is the SMILES notation for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane?
The canonical SMILES for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane is CC(C(C)(C)C)C(C)(C)OC(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane?
The InChIKey is LMFRHHQVEGANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-13(15(3,4)5)17(9,10)19-18(11,12)14(2)16(6,7)8/h13-14H,1-12H3.
What are the key properties of 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane?
2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane has a molecular weight of 270.50 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethyl-4-(2,3,4,4-tetramethylpentan-2-yloxy)pentane is sourced from PubChem (CID 57009950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).