2,2,3,3,4,4,5,5,6-nonamethylheptane

C16H34 — CID 18709544

IUPAC2,2,3,3,4,4,5,5,6-nonamethylheptane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)14(6,7)16(10,11)15(8,9)13(3,4)5/h12H,1-11H3
InChIKeyXHBDPOMOMYDPIB-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds3

About 2,2,3,3,4,4,5,5,6-nonamethylheptane

2,2,3,3,4,4,5,5,6-nonamethylheptane (PubChem CID 18709544) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6-nonamethylheptane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6-nonamethylheptane
PubChem CID18709544
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,3,3,4,4,5,5,6-nonamethylheptane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C16H34/c1-12(2)14(6,7)16(10,11)15(8,9)13(3,4)5/h12H,1-11H3
InChIKeyXHBDPOMOMYDPIB-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6-nonamethylheptane?
The IUPAC name of 2,2,3,3,4,4,5,5,6-nonamethylheptane (CID 18709544) is 2,2,3,3,4,4,5,5,6-nonamethylheptane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6-nonamethylheptane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6-nonamethylheptane is CC(C)C(C)(C)C(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6-nonamethylheptane?
The InChIKey is XHBDPOMOMYDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-12(2)14(6,7)16(10,11)15(8,9)13(3,4)5/h12H,1-11H3.
What are the key properties of 2,2,3,3,4,4,5,5,6-nonamethylheptane?
2,2,3,3,4,4,5,5,6-nonamethylheptane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6-nonamethylheptane is sourced from PubChem (CID 18709544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).