2,2,3,4,4,6-hexamethylheptane

C13H28 — CID 57491289

IUPAC2,2,3,4,4,6-hexamethylheptane
SMILESCC(C)CC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C13H28/c1-10(2)9-13(7,8)11(3)12(4,5)6/h10-11H,9H2,1-8H3
InChIKeySCKSNCSZNLZFQQ-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.74
Rot. Bonds3

About 2,2,3,4,4,6-hexamethylheptane

2,2,3,4,4,6-hexamethylheptane (PubChem CID 57491289) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 2,2,3,4,4,6-hexamethylheptane.

Molecular Properties

Compound Name2,2,3,4,4,6-hexamethylheptane
PubChem CID57491289
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name2,2,3,4,4,6-hexamethylheptane
SMILESCC(C)CC(C)(C)C(C)C(C)(C)C
InChIInChI=1S/C13H28/c1-10(2)9-13(7,8)11(3)12(4,5)6/h10-11H,9H2,1-8H3
InChIKeySCKSNCSZNLZFQQ-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,6-hexamethylheptane?
The IUPAC name of 2,2,3,4,4,6-hexamethylheptane (CID 57491289) is 2,2,3,4,4,6-hexamethylheptane.
What is the SMILES notation for 2,2,3,4,4,6-hexamethylheptane?
The canonical SMILES for 2,2,3,4,4,6-hexamethylheptane is CC(C)CC(C)(C)C(C)C(C)(C)C.
What is the InChIKey of 2,2,3,4,4,6-hexamethylheptane?
The InChIKey is SCKSNCSZNLZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-10(2)9-13(7,8)11(3)12(4,5)6/h10-11H,9H2,1-8H3.
What are the key properties of 2,2,3,4,4,6-hexamethylheptane?
2,2,3,4,4,6-hexamethylheptane has a molecular weight of 184.37 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,6-hexamethylheptane is sourced from PubChem (CID 57491289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).