2,3,3,4,5-pentamethylhexane

C11H24 — CID 21040423

IUPAC2,3,3,4,5-pentamethylhexane
SMILESCC(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C11H24/c1-8(2)10(5)11(6,7)9(3)4/h8-10H,1-7H3
InChIKeySTMIMOZUYGUOQZ-UHFFFAOYSA-N
MW156.31 g/mol
LogP3.96
Rot. Bonds3

About 2,3,3,4,5-pentamethylhexane

2,3,3,4,5-pentamethylhexane (PubChem CID 21040423) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is 2,3,3,4,5-pentamethylhexane.

Molecular Properties

Compound Name2,3,3,4,5-pentamethylhexane
PubChem CID21040423
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name2,3,3,4,5-pentamethylhexane
SMILESCC(C)C(C)C(C)(C)C(C)C
InChIInChI=1S/C11H24/c1-8(2)10(5)11(6,7)9(3)4/h8-10H,1-7H3
InChIKeySTMIMOZUYGUOQZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5-pentamethylhexane?
The IUPAC name of 2,3,3,4,5-pentamethylhexane (CID 21040423) is 2,3,3,4,5-pentamethylhexane.
What is the SMILES notation for 2,3,3,4,5-pentamethylhexane?
The canonical SMILES for 2,3,3,4,5-pentamethylhexane is CC(C)C(C)C(C)(C)C(C)C.
What is the InChIKey of 2,3,3,4,5-pentamethylhexane?
The InChIKey is STMIMOZUYGUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24/c1-8(2)10(5)11(6,7)9(3)4/h8-10H,1-7H3.
What are the key properties of 2,3,3,4,5-pentamethylhexane?
2,3,3,4,5-pentamethylhexane has a molecular weight of 156.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5-pentamethylhexane is sourced from PubChem (CID 21040423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).