2,2,5,6-tetramethyl-4-propan-2-ylnonane

C16H34 — CID 123310465

IUPAC2,2,5,6-tetramethyl-4-propan-2-ylnonane
SMILESCCCC(C)C(C)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H34/c1-9-10-13(4)14(5)15(12(2)3)11-16(6,7)8/h12-15H,9-11H2,1-8H3
InChIKeyXSTMRKWGFLWNQE-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds6

About 2,2,5,6-tetramethyl-4-propan-2-ylnonane

2,2,5,6-tetramethyl-4-propan-2-ylnonane (PubChem CID 123310465) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,2,5,6-tetramethyl-4-propan-2-ylnonane.

Molecular Properties

Compound Name2,2,5,6-tetramethyl-4-propan-2-ylnonane
PubChem CID123310465
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,2,5,6-tetramethyl-4-propan-2-ylnonane
SMILESCCCC(C)C(C)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C16H34/c1-9-10-13(4)14(5)15(12(2)3)11-16(6,7)8/h12-15H,9-11H2,1-8H3
InChIKeyXSTMRKWGFLWNQE-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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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Related Compounds

2,2,4,6-tetramethylnonan-5-ol
CID 156689294
2,2,5-trimethyloctan-4-amine
CID 107893664
5-tert-butyl-4,6-dimethylnonane
CID 91526510
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,2,6,6-tetramethyl-4-propylheptane
CID 57492954
3-ethyl-3,6,7,8-tetramethylundecane
CID 123359808
3-ethyl-2,2,4-trimethylheptane
CID 22354769
3-fluoro-2,2,4-trimethylheptane
CID 123271530
2,2,3,5-tetramethyl-4-(2-methylpropyl)octane
CID 90766744
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556

Frequently Asked Questions

What is the IUPAC name of 2,2,5,6-tetramethyl-4-propan-2-ylnonane?
The IUPAC name of 2,2,5,6-tetramethyl-4-propan-2-ylnonane (CID 123310465) is 2,2,5,6-tetramethyl-4-propan-2-ylnonane.
What is the SMILES notation for 2,2,5,6-tetramethyl-4-propan-2-ylnonane?
The canonical SMILES for 2,2,5,6-tetramethyl-4-propan-2-ylnonane is CCCC(C)C(C)C(CC(C)(C)C)C(C)C.
What is the InChIKey of 2,2,5,6-tetramethyl-4-propan-2-ylnonane?
The InChIKey is XSTMRKWGFLWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-9-10-13(4)14(5)15(12(2)3)11-16(6,7)8/h12-15H,9-11H2,1-8H3.
What are the key properties of 2,2,5,6-tetramethyl-4-propan-2-ylnonane?
2,2,5,6-tetramethyl-4-propan-2-ylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,6-tetramethyl-4-propan-2-ylnonane is sourced from PubChem (CID 123310465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).