1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid

C24H34O4 — CID 70929883

IUPAC1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
SMILESO=C(O)C1CC2CC3CC(C45CC6CCCC(C(=O)O)(C4)C(C6)C5)(C2)CC3C1
InChIInChI=1S/C24H34O4/c25-20(26)16-4-15-5-17-10-22(9-15,11-18(17)7-16)23-8-14-2-1-3-24(13-23,21(27)28)19(6-14)12-23/h14-19H,1-13H2,(H,25,26)(H,27,28)
InChIKeyWGQXDMUOUDGQAI-UHFFFAOYSA-N
MW386.53 g/mol
LogP4.96
Rot. Bonds3

About 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid

1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid (PubChem CID 70929883) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
PubChem CID70929883
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
SMILESO=C(O)C1CC2CC3CC(C45CC6CCCC(C(=O)O)(C4)C(C6)C5)(C2)CC3C1
InChIInChI=1S/C24H34O4/c25-20(26)16-4-15-5-17-10-22(9-15,11-18(17)7-16)23-8-14-2-1-3-24(13-23,21(27)28)19(6-14)12-23/h14-19H,1-13H2,(H,25,26)(H,27,28)
InChIKeyWGQXDMUOUDGQAI-UHFFFAOYSA-N
XLogP4.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(dimethylcarbamoyl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929829
1-[5-[cyclohexyl(ethyl)carbamoyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929841
1-[5-[methyl-(4-phenylcyclohexyl)carbamoyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929840
1-[5-(2H-tetrazol-5-yl)-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylic acid
CID 70929843
methyl 1-[5-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-1-tricyclo[5.3.1.03,9]undecanyl]tricyclo[5.3.1.03,9]undecane-3-carboxylate
CID 70929861
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
(2R,7S)-2-chloroadamantane-1-carboxylic acid
CID 130898184
3-methyl-1-(oxan-3-yl)cyclohexane-1-carboxylic acid
CID 107137942
1-[2-(1-adamantyl)ethyl]piperidine-4-carboxylic acid
CID 43441462
5-(1-adamantyl)adamantan-2-ol
CID 68898703
(1R,3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-pentalene-1,3a-dicarboxylic acid
CID 1224958
[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
CID 23238239

Frequently Asked Questions

What is the IUPAC name of 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The IUPAC name of 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid (CID 70929883) is 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid.
What is the SMILES notation for 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The canonical SMILES for 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid is O=C(O)C1CC2CC3CC(C45CC6CCCC(C(=O)O)(C4)C(C6)C5)(C2)CC3C1.
What is the InChIKey of 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
The InChIKey is WGQXDMUOUDGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c25-20(26)16-4-15-5-17-10-22(9-15,11-18(17)7-16)23-8-14-2-1-3-24(13-23,21(27)28)19(6-14)12-23/h14-19H,1-13H2,(H,25,26)(H,27,28).
What are the key properties of 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid?
1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid has a molecular weight of 386.53 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carboxy-1-tricyclo[5.3.1.03,9]undecanyl)tricyclo[5.3.1.03,9]undecane-3-carboxylic acid is sourced from PubChem (CID 70929883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).