1,1,4-trimethylcyclononane

C12H24 — CID 71397842

IUPAC1,1,4-trimethylcyclononane
SMILESCC1CCCCCC(C)(C)CC1
InChIInChI=1S/C12H24/c1-11-7-5-4-6-9-12(2,3)10-8-11/h11H,4-10H2,1-3H3
InChIKeyYZFBDTQWGHOXFE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.39
Rot. Bonds

About 1,1,4-trimethylcyclononane

1,1,4-trimethylcyclononane (PubChem CID 71397842) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,1,4-trimethylcyclononane.

Molecular Properties

Compound Name1,1,4-trimethylcyclononane
PubChem CID71397842
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,1,4-trimethylcyclononane
SMILESCC1CCCCCC(C)(C)CC1
InChIInChI=1S/C12H24/c1-11-7-5-4-6-9-12(2,3)10-8-11/h11H,4-10H2,1-3H3
InChIKeyYZFBDTQWGHOXFE-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethylcyclononane?
The IUPAC name of 1,1,4-trimethylcyclononane (CID 71397842) is 1,1,4-trimethylcyclononane.
What is the SMILES notation for 1,1,4-trimethylcyclononane?
The canonical SMILES for 1,1,4-trimethylcyclononane is CC1CCCCCC(C)(C)CC1.
What is the InChIKey of 1,1,4-trimethylcyclononane?
The InChIKey is YZFBDTQWGHOXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-11-7-5-4-6-9-12(2,3)10-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 1,1,4-trimethylcyclononane?
1,1,4-trimethylcyclononane has a molecular weight of 168.32 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethylcyclononane is sourced from PubChem (CID 71397842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).