1,2,3,4,7-pentamethylcyclononane

C14H28 — CID 123773414

IUPAC1,2,3,4,7-pentamethylcyclononane
SMILESCC1CCC(C)C(C)C(C)C(C)CC1
InChIInChI=1S/C14H28/c1-10-6-8-11(2)13(4)14(5)12(3)9-7-10/h10-14H,6-9H2,1-5H3
InChIKeyRKMKTFCUALKVNL-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds

About 1,2,3,4,7-pentamethylcyclononane

1,2,3,4,7-pentamethylcyclononane (PubChem CID 123773414) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,2,3,4,7-pentamethylcyclononane.

Molecular Properties

Compound Name1,2,3,4,7-pentamethylcyclononane
PubChem CID123773414
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,2,3,4,7-pentamethylcyclononane
SMILESCC1CCC(C)C(C)C(C)C(C)CC1
InChIInChI=1S/C14H28/c1-10-6-8-11(2)13(4)14(5)12(3)9-7-10/h10-14H,6-9H2,1-5H3
InChIKeyRKMKTFCUALKVNL-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,3,6-tetramethylcyclooctane
CID 178085066
bis(1,4-dimethylcyclohexane);methane
CID 161326462
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1,2,4,7-tetramethylcyclononane
CID 123661715
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7-pentamethylcyclononane?
The IUPAC name of 1,2,3,4,7-pentamethylcyclononane (CID 123773414) is 1,2,3,4,7-pentamethylcyclononane.
What is the SMILES notation for 1,2,3,4,7-pentamethylcyclononane?
The canonical SMILES for 1,2,3,4,7-pentamethylcyclononane is CC1CCC(C)C(C)C(C)C(C)CC1.
What is the InChIKey of 1,2,3,4,7-pentamethylcyclononane?
The InChIKey is RKMKTFCUALKVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-10-6-8-11(2)13(4)14(5)12(3)9-7-10/h10-14H,6-9H2,1-5H3.
What are the key properties of 1,2,3,4,7-pentamethylcyclononane?
1,2,3,4,7-pentamethylcyclononane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7-pentamethylcyclononane is sourced from PubChem (CID 123773414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).