1,2,4,7-tetramethylcyclononane

C13H26 — CID 123661715

IUPAC1,2,4,7-tetramethylcyclononane
SMILESCC1CCC(C)CC(C)C(C)CC1
InChIInChI=1S/C13H26/c1-10-5-6-11(2)9-13(4)12(3)8-7-10/h10-13H,5-9H2,1-4H3
InChIKeyMKPGAUUQFXLLBJ-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds

About 1,2,4,7-tetramethylcyclononane

1,2,4,7-tetramethylcyclononane (PubChem CID 123661715) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,2,4,7-tetramethylcyclononane.

Molecular Properties

Compound Name1,2,4,7-tetramethylcyclononane
PubChem CID123661715
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,2,4,7-tetramethylcyclononane
SMILESCC1CCC(C)CC(C)C(C)CC1
InChIInChI=1S/C13H26/c1-10-5-6-11(2)9-13(4)12(3)8-7-10/h10-13H,5-9H2,1-4H3
InChIKeyMKPGAUUQFXLLBJ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
2,5-dimethyl-1,3-dioxane;1,2,4-trimethylcyclohexane
CID 144941728
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
2-(2,5-dimethylcyclohexyl)-1,4-dimethylcyclohexane
CID 91483098
acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
CID 157204213
1,2,3,4,7-pentamethylcyclononane
CID 123773414
(1S,2R,4R)-N,N,2,4-tetramethylcyclohexan-1-amine
CID 174078567
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
methane;1,2,4-trimethylcyclopentane
CID 157268000
ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345

Frequently Asked Questions

What is the IUPAC name of 1,2,4,7-tetramethylcyclononane?
The IUPAC name of 1,2,4,7-tetramethylcyclononane (CID 123661715) is 1,2,4,7-tetramethylcyclononane.
What is the SMILES notation for 1,2,4,7-tetramethylcyclononane?
The canonical SMILES for 1,2,4,7-tetramethylcyclononane is CC1CCC(C)CC(C)C(C)CC1.
What is the InChIKey of 1,2,4,7-tetramethylcyclononane?
The InChIKey is MKPGAUUQFXLLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-10-5-6-11(2)9-13(4)12(3)8-7-10/h10-13H,5-9H2,1-4H3.
What are the key properties of 1,2,4,7-tetramethylcyclononane?
1,2,4,7-tetramethylcyclononane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,7-tetramethylcyclononane is sourced from PubChem (CID 123661715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).