1,1,2,8-tetramethylcyclononane

C13H26 — CID 123968014

IUPAC1,1,2,8-tetramethylcyclononane
SMILESCC1CCCCCC(C)C(C)(C)C1
InChIInChI=1S/C13H26/c1-11-8-6-5-7-9-12(2)13(3,4)10-11/h11-12H,5-10H2,1-4H3
InChIKeyQPXLORWPCKAYHC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds

About 1,1,2,8-tetramethylcyclononane

1,1,2,8-tetramethylcyclononane (PubChem CID 123968014) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1,2,8-tetramethylcyclononane.

Molecular Properties

Compound Name1,1,2,8-tetramethylcyclononane
PubChem CID123968014
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1,2,8-tetramethylcyclononane
SMILESCC1CCCCCC(C)C(C)(C)C1
InChIInChI=1S/C13H26/c1-11-8-6-5-7-9-12(2)13(3,4)10-11/h11-12H,5-10H2,1-4H3
InChIKeyQPXLORWPCKAYHC-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2,7-tetramethylcyclooctane
CID 141451493
1,1,2-trimethylcycloundecane
CID 544748
13-ethyl-1,1,2,12,15-pentamethylcyclohexadecane
CID 91282167
N-(3,3,4-trimethylcyclopentyl)cyclohexanamine
CID 170208159
methylcyclohexane;phosphane;pentahydrochloride
CID 174057866
(3,3,4,8-tetramethylcyclononyl)methanamine
CID 129058588
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
(1,3-dimethylcyclodecyl)phosphane
CID 146213470
methanol;1,1,2-trimethylcyclohexane
CID 70292509
1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
CID 173230586

Frequently Asked Questions

What is the IUPAC name of 1,1,2,8-tetramethylcyclononane?
The IUPAC name of 1,1,2,8-tetramethylcyclononane (CID 123968014) is 1,1,2,8-tetramethylcyclononane.
What is the SMILES notation for 1,1,2,8-tetramethylcyclononane?
The canonical SMILES for 1,1,2,8-tetramethylcyclononane is CC1CCCCCC(C)C(C)(C)C1.
What is the InChIKey of 1,1,2,8-tetramethylcyclononane?
The InChIKey is QPXLORWPCKAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11-8-6-5-7-9-12(2)13(3,4)10-11/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,1,2,8-tetramethylcyclononane?
1,1,2,8-tetramethylcyclononane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,8-tetramethylcyclononane is sourced from PubChem (CID 123968014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).