3,3,5,7-tetramethylnonane

C13H28 — CID 57490983

IUPAC3,3,5,7-tetramethylnonane
SMILESCCC(C)CC(C)CC(C)(C)CC
InChIInChI=1S/C13H28/c1-7-11(3)9-12(4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyXFALVPGLLKYDSR-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds6

About 3,3,5,7-tetramethylnonane

3,3,5,7-tetramethylnonane (PubChem CID 57490983) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,3,5,7-tetramethylnonane.

Molecular Properties

Compound Name3,3,5,7-tetramethylnonane
PubChem CID57490983
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,3,5,7-tetramethylnonane
SMILESCCC(C)CC(C)CC(C)(C)CC
InChIInChI=1S/C13H28/c1-7-11(3)9-12(4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyXFALVPGLLKYDSR-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3,5,7-tetramethyldecane
CID 57491663
3,5-dimethylheptane;ethane
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ethane;(5R)-3,3,5-trimethyloctane
CID 143538899
4-ethyl-2,6,6-trimethyloctane
CID 57491162
3,3,5-trimethylnonane
CID 53424862
3,3,8-trimethyl-5-propyldecane
CID 142826348
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
2,2,4-trimethylhexan-1-ol
CID 14747424
2,2,5,8,10,10-hexamethyldodecane
CID 177102228
3,5,5,8-tetramethyldecane
CID 57491683
4,4,6-trimethyloctan-2-ol
CID 64717881
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880

Frequently Asked Questions

What is the IUPAC name of 3,3,5,7-tetramethylnonane?
The IUPAC name of 3,3,5,7-tetramethylnonane (CID 57490983) is 3,3,5,7-tetramethylnonane.
What is the SMILES notation for 3,3,5,7-tetramethylnonane?
The canonical SMILES for 3,3,5,7-tetramethylnonane is CCC(C)CC(C)CC(C)(C)CC.
What is the InChIKey of 3,3,5,7-tetramethylnonane?
The InChIKey is XFALVPGLLKYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-7-11(3)9-12(4)10-13(5,6)8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 3,3,5,7-tetramethylnonane?
3,3,5,7-tetramethylnonane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,7-tetramethylnonane is sourced from PubChem (CID 57490983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).