2,2,6,6-tetramethyl-4-propylheptane

C14H30 — CID 57492954

IUPAC2,2,6,6-tetramethyl-4-propylheptane
SMILESCCCC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H30/c1-8-9-12(10-13(2,3)4)11-14(5,6)7/h12H,8-11H2,1-7H3
InChIKeyXPELRDBPBQGLMY-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds4

About 2,2,6,6-tetramethyl-4-propylheptane

2,2,6,6-tetramethyl-4-propylheptane (PubChem CID 57492954) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-propylheptane.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-propylheptane
PubChem CID57492954
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name2,2,6,6-tetramethyl-4-propylheptane
SMILESCCCC(CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C14H30/c1-8-9-12(10-13(2,3)4)11-14(5,6)7/h12H,8-11H2,1-7H3
InChIKeyXPELRDBPBQGLMY-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 2,2,6,6-tetramethyl-4-propylheptane?
The IUPAC name of 2,2,6,6-tetramethyl-4-propylheptane (CID 57492954) is 2,2,6,6-tetramethyl-4-propylheptane.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-propylheptane?
The canonical SMILES for 2,2,6,6-tetramethyl-4-propylheptane is CCCC(CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-4-propylheptane?
The InChIKey is XPELRDBPBQGLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-8-9-12(10-13(2,3)4)11-14(5,6)7/h12H,8-11H2,1-7H3.
What are the key properties of 2,2,6,6-tetramethyl-4-propylheptane?
2,2,6,6-tetramethyl-4-propylheptane 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 2,2,6,6-tetramethyl-4-propylheptane is sourced from PubChem (CID 57492954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).