2,4,4,6-tetramethylcyclononane-1-carboxylic acid

C14H26O2 — CID 123147000

IUPAC2,4,4,6-tetramethylcyclononane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)C(C)CC(C)(C)C1
InChIInChI=1S/C14H26O2/c1-10-6-5-7-12(13(15)16)11(2)9-14(3,4)8-10/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyCNLVFMUMUPGMEU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.95
Rot. Bonds1

About 2,4,4,6-tetramethylcyclononane-1-carboxylic acid

2,4,4,6-tetramethylcyclononane-1-carboxylic acid (PubChem CID 123147000) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,4,4,6-tetramethylcyclononane-1-carboxylic acid.

Molecular Properties

Compound Name2,4,4,6-tetramethylcyclononane-1-carboxylic acid
PubChem CID123147000
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,4,4,6-tetramethylcyclononane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)C(C)CC(C)(C)C1
InChIInChI=1S/C14H26O2/c1-10-6-5-7-12(13(15)16)11(2)9-14(3,4)8-10/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyCNLVFMUMUPGMEU-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969
2-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
cis-(1R,2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124714504
4,4-dimethyl-2-(3-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 81020677
3,4-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-dicarboxylic acid
CID 139838264
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
CID 118911768
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
trans-(1S,2S)-2-acetylcyclopentane-1-carboxylic acid
CID 98774560
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874

Frequently Asked Questions

What is the IUPAC name of 2,4,4,6-tetramethylcyclononane-1-carboxylic acid?
The IUPAC name of 2,4,4,6-tetramethylcyclononane-1-carboxylic acid (CID 123147000) is 2,4,4,6-tetramethylcyclononane-1-carboxylic acid.
What is the SMILES notation for 2,4,4,6-tetramethylcyclononane-1-carboxylic acid?
The canonical SMILES for 2,4,4,6-tetramethylcyclononane-1-carboxylic acid is CC1CCCC(C(=O)O)C(C)CC(C)(C)C1.
What is the InChIKey of 2,4,4,6-tetramethylcyclononane-1-carboxylic acid?
The InChIKey is CNLVFMUMUPGMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10-6-5-7-12(13(15)16)11(2)9-14(3,4)8-10/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2,4,4,6-tetramethylcyclononane-1-carboxylic acid?
2,4,4,6-tetramethylcyclononane-1-carboxylic acid has a molecular weight of 226.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6-tetramethylcyclononane-1-carboxylic acid is sourced from PubChem (CID 123147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).