tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid

C19H26O8 — CID 163457745

IUPACtricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid
SMILESO=C(O)C1CC2CCC1CC(C(=O)O)C1CCC(CC1C(=O)O)C2C(=O)O
InChIInChI=1S/C19H26O8/c20-16(21)12-6-9-2-1-8(12)5-13(17(22)23)11-4-3-10(15(9)19(26)27)7-14(11)18(24)25/h8-15H,1-7H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyBLXHIIMFBZQFBJ-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.03
Rot. Bonds4

About tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid

tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid (PubChem CID 163457745) has the molecular formula C19H26O8 and a molecular weight of 382.41 g/mol. Its IUPAC name is tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid.

Molecular Properties

Compound Nametricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid
PubChem CID163457745
Molecular FormulaC19H26O8
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Nametricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid
SMILESO=C(O)C1CC2CCC1CC(C(=O)O)C1CCC(CC1C(=O)O)C2C(=O)O
InChIInChI=1S/C19H26O8/c20-16(21)12-6-9-2-1-8(12)5-13(17(22)23)11-4-3-10(15(9)19(26)27)7-14(11)18(24)25/h8-15H,1-7H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyBLXHIIMFBZQFBJ-UHFFFAOYSA-N
XLogP2.03
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid with MolForge

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Related Compounds

(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
(2S,3R,5R)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid;(2S,3R,5S)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
CID 157305496
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
2-methoxycarbonylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 564809
(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
CID 162343969
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 130765151
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
CID 55300069
(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571

Frequently Asked Questions

What is the IUPAC name of tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid?
The IUPAC name of tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid (CID 163457745) is tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid.
What is the SMILES notation for tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid?
The canonical SMILES for tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid is O=C(O)C1CC2CCC1CC(C(=O)O)C1CCC(CC1C(=O)O)C2C(=O)O.
What is the InChIKey of tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid?
The InChIKey is BLXHIIMFBZQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O8/c20-16(21)12-6-9-2-1-8(12)5-13(17(22)23)11-4-3-10(15(9)19(26)27)7-14(11)18(24)25/h8-15H,1-7H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27).
What are the key properties of tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid?
tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid has a molecular weight of 382.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[7.2.2.23,6]pentadecane-2,5,7,10-tetracarboxylic acid is sourced from PubChem (CID 163457745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).