2,2,4,4,6,6,8-heptamethylnonane

C16H34 — CID 27137

IUPAC2,2,4,4,6,6,8-heptamethylnonane
SMILESCC(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyRDUBCTHNBWFPTP-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds5

About 2,2,4,4,6,6,8-heptamethylnonane

2,2,4,4,6,6,8-heptamethylnonane (PubChem CID 27137) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,4,4,6,6,8-heptamethylnonane.

Molecular Properties

Compound Name2,2,4,4,6,6,8-heptamethylnonane
PubChem CID27137
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,4,4,6,6,8-heptamethylnonane
SMILESCC(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3
InChIKeyRDUBCTHNBWFPTP-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8-heptamethylnonane?
The IUPAC name of 2,2,4,4,6,6,8-heptamethylnonane (CID 27137) is 2,2,4,4,6,6,8-heptamethylnonane.
What is the SMILES notation for 2,2,4,4,6,6,8-heptamethylnonane?
The canonical SMILES for 2,2,4,4,6,6,8-heptamethylnonane is CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4,6,6,8-heptamethylnonane?
The InChIKey is RDUBCTHNBWFPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-13(2)10-15(6,7)12-16(8,9)11-14(3,4)5/h13H,10-12H2,1-9H3.
What are the key properties of 2,2,4,4,6,6,8-heptamethylnonane?
2,2,4,4,6,6,8-heptamethylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8-heptamethylnonane is sourced from PubChem (CID 27137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).