2,2,4,4,6,6-hexamethylheptane

C13H28 — CID 2795065

IUPAC2,2,4,4,6,6-hexamethylheptane
SMILESCC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28/c1-11(2,3)9-13(7,8)10-12(4,5)6/h9-10H2,1-8H3
InChIKeyLIMYLTFOQJHNJD-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds2

About 2,2,4,4,6,6-hexamethylheptane

2,2,4,4,6,6-hexamethylheptane (PubChem CID 2795065) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexamethylheptane.

Molecular Properties

Compound Name2,2,4,4,6,6-hexamethylheptane
PubChem CID2795065
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,2,4,4,6,6-hexamethylheptane
SMILESCC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H28/c1-11(2,3)9-13(7,8)10-12(4,5)6/h9-10H2,1-8H3
InChIKeyLIMYLTFOQJHNJD-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexamethylheptane?
The IUPAC name of 2,2,4,4,6,6-hexamethylheptane (CID 2795065) is 2,2,4,4,6,6-hexamethylheptane.
What is the SMILES notation for 2,2,4,4,6,6-hexamethylheptane?
The canonical SMILES for 2,2,4,4,6,6-hexamethylheptane is CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4,6,6-hexamethylheptane?
The InChIKey is LIMYLTFOQJHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-11(2,3)9-13(7,8)10-12(4,5)6/h9-10H2,1-8H3.
What are the key properties of 2,2,4,4,6,6-hexamethylheptane?
2,2,4,4,6,6-hexamethylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexamethylheptane is sourced from PubChem (CID 2795065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).