5-ethyl-2,2,4,4,5-pentamethylheptane

C14H30 — CID 57492867

IUPAC5-ethyl-2,2,4,4,5-pentamethylheptane
SMILESCCC(C)(CC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30/c1-9-14(8,10-2)13(6,7)11-12(3,4)5/h9-11H2,1-8H3
InChIKeyLVIHHOMBGXYGRO-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds4

About 5-ethyl-2,2,4,4,5-pentamethylheptane

5-ethyl-2,2,4,4,5-pentamethylheptane (PubChem CID 57492867) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 5-ethyl-2,2,4,4,5-pentamethylheptane.

Molecular Properties

Compound Name5-ethyl-2,2,4,4,5-pentamethylheptane
PubChem CID57492867
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name5-ethyl-2,2,4,4,5-pentamethylheptane
SMILESCCC(C)(CC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H30/c1-9-14(8,10-2)13(6,7)11-12(3,4)5/h9-11H2,1-8H3
InChIKeyLVIHHOMBGXYGRO-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,4,4,5-pentamethylheptane?
The IUPAC name of 5-ethyl-2,2,4,4,5-pentamethylheptane (CID 57492867) is 5-ethyl-2,2,4,4,5-pentamethylheptane.
What is the SMILES notation for 5-ethyl-2,2,4,4,5-pentamethylheptane?
The canonical SMILES for 5-ethyl-2,2,4,4,5-pentamethylheptane is CCC(C)(CC)C(C)(C)CC(C)(C)C.
What is the InChIKey of 5-ethyl-2,2,4,4,5-pentamethylheptane?
The InChIKey is LVIHHOMBGXYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-9-14(8,10-2)13(6,7)11-12(3,4)5/h9-11H2,1-8H3.
What are the key properties of 5-ethyl-2,2,4,4,5-pentamethylheptane?
5-ethyl-2,2,4,4,5-pentamethylheptane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,4,4,5-pentamethylheptane is sourced from PubChem (CID 57492867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).