1,1,2,2,5,5-hexamethylcyclononane

C15H30 — CID 123180504

IUPAC1,1,2,2,5,5-hexamethylcyclononane
SMILESCC1(C)CCCCC(C)(C)C(C)(C)CC1
InChIInChI=1S/C15H30/c1-13(2)9-7-8-10-14(3,4)15(5,6)12-11-13/h7-12H2,1-6H3
InChIKeyDVWNRLHDKWJSNM-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds

About 1,1,2,2,5,5-hexamethylcyclononane

1,1,2,2,5,5-hexamethylcyclononane (PubChem CID 123180504) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,2,2,5,5-hexamethylcyclononane.

Molecular Properties

Compound Name1,1,2,2,5,5-hexamethylcyclononane
PubChem CID123180504
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,2,2,5,5-hexamethylcyclononane
SMILESCC1(C)CCCCC(C)(C)C(C)(C)CC1
InChIInChI=1S/C15H30/c1-13(2)9-7-8-10-14(3,4)15(5,6)12-11-13/h7-12H2,1-6H3
InChIKeyDVWNRLHDKWJSNM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,1-dimethylcyclohexane;methane
CID 160770296
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
azane;1,1-dimethylcyclohexane
CID 90411117
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
5,5,8,8-tetramethyl-azacycloundecane
CID 154959364
CID 68784292
CID 68784292
1,6,6-trimethylazecane
CID 137411495
1,1-dimethylcyclobutane;vanadium
CID 158712416

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5-hexamethylcyclononane?
The IUPAC name of 1,1,2,2,5,5-hexamethylcyclononane (CID 123180504) is 1,1,2,2,5,5-hexamethylcyclononane.
What is the SMILES notation for 1,1,2,2,5,5-hexamethylcyclononane?
The canonical SMILES for 1,1,2,2,5,5-hexamethylcyclononane is CC1(C)CCCCC(C)(C)C(C)(C)CC1.
What is the InChIKey of 1,1,2,2,5,5-hexamethylcyclononane?
The InChIKey is DVWNRLHDKWJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-13(2)9-7-8-10-14(3,4)15(5,6)12-11-13/h7-12H2,1-6H3.
What are the key properties of 1,1,2,2,5,5-hexamethylcyclononane?
1,1,2,2,5,5-hexamethylcyclononane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5-hexamethylcyclononane is sourced from PubChem (CID 123180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).