1,6,6-trimethylcycloundecane-1-carboxylic acid

C15H28O2 — CID 70908763

IUPAC1,6,6-trimethylcycloundecane-1-carboxylic acid
SMILESCC1(C)CCCCCC(C)(C(=O)O)CCCC1
InChIInChI=1S/C15H28O2/c1-14(2)9-5-4-6-11-15(3,13(16)17)12-8-7-10-14/h4-12H2,1-3H3,(H,16,17)
InChIKeyGYSCZIMTMWYIGP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.63
Rot. Bonds1

About 1,6,6-trimethylcycloundecane-1-carboxylic acid

1,6,6-trimethylcycloundecane-1-carboxylic acid (PubChem CID 70908763) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,6,6-trimethylcycloundecane-1-carboxylic acid.

Molecular Properties

Compound Name1,6,6-trimethylcycloundecane-1-carboxylic acid
PubChem CID70908763
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1,6,6-trimethylcycloundecane-1-carboxylic acid
SMILESCC1(C)CCCCCC(C)(C(=O)O)CCCC1
InChIInChI=1S/C15H28O2/c1-14(2)9-5-4-6-11-15(3,13(16)17)12-8-7-10-14/h4-12H2,1-3H3,(H,16,17)
InChIKeyGYSCZIMTMWYIGP-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylcyclohexane-1-carboxylic acid;(1-methylcyclohexyl)methanol
CID 157371740
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1,6,6-trimethyl-N-sulfanylcycloundecane-1-carboxamide
CID 134355563
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
4-cyclopropyl-1-methylcyclohexane-1-carboxylic acid
CID 175206014
4-chloro-1-methylcyclohexane-1-carboxylic acid
CID 12547623
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
1,1-dimethylcyclopentane;zinc
CID 174960258
3-fluoro-1-methylcyclohexane-1-carboxylic acid
CID 84764228

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethylcycloundecane-1-carboxylic acid?
The IUPAC name of 1,6,6-trimethylcycloundecane-1-carboxylic acid (CID 70908763) is 1,6,6-trimethylcycloundecane-1-carboxylic acid.
What is the SMILES notation for 1,6,6-trimethylcycloundecane-1-carboxylic acid?
The canonical SMILES for 1,6,6-trimethylcycloundecane-1-carboxylic acid is CC1(C)CCCCCC(C)(C(=O)O)CCCC1.
What is the InChIKey of 1,6,6-trimethylcycloundecane-1-carboxylic acid?
The InChIKey is GYSCZIMTMWYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-14(2)9-5-4-6-11-15(3,13(16)17)12-8-7-10-14/h4-12H2,1-3H3,(H,16,17).
What are the key properties of 1,6,6-trimethylcycloundecane-1-carboxylic acid?
1,6,6-trimethylcycloundecane-1-carboxylic acid has a molecular weight of 240.39 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethylcycloundecane-1-carboxylic acid is sourced from PubChem (CID 70908763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).