5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid

C20H28O7 — CID 163032179

IUPAC5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
SMILESCC1CC23CC1CCC2C1(C(=O)O)CCC(O)C(C)(C(=O)O)C1C3C(=O)O
InChIInChI=1S/C20H28O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h9-14,21H,3-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyCQDCLVASIPBLIZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.08
Rot. Bonds3

About 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid

5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid (PubChem CID 163032179) has the molecular formula C20H28O7 and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid.

Molecular Properties

Compound Name5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
PubChem CID163032179
Molecular FormulaC20H28O7
Molecular Weight380.44 g/mol
Exact Mass380.18
IUPAC Name5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
SMILESCC1CC23CC1CCC2C1(C(=O)O)CCC(O)C(C)(C(=O)O)C1C3C(=O)O
InChIInChI=1S/C20H28O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h9-14,21H,3-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyCQDCLVASIPBLIZ-UHFFFAOYSA-N
XLogP2.08
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid with MolForge

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Related Compounds

(1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
CID 5460656
(1R,2R,3S,4S,5S,8S,9S,12R)-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
CID 159796154
(1R,2S,3S,4S,5S,8R,9S,12S)-5-hydroxy-4,8-dimethyl-13-methylidene-10-oxotetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
CID 163192923
(1S,2S,3S,4R)-2-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 7096076
(1S,4R,9R,10S,13R,14R)-6-hydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-7-ene-6-carboxylic acid
CID 90780329
14-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid
CID 14160541
(1S,4S,9R,10S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6-carboxylic acid
CID 57174110
(1S,4R,9R,10S,13R,14R)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 67250652
(1S,4R,9R,10S,13R,14R)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-6-ene-5-carboxylic acid
CID 68663436
(1R,4S,5R,9S,10S,13R,14R,15S)-15-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 162895179
(1R,2R,5R,8R,9S,10S,11S,17S)-17-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
CID 14605568
(1R,2R,4aR,4bR,8S,8aR)-8-ethyl-2-hydroxy-1,4a,8,8a-tetramethyl-7-[(1R,2R)-2,5,5-trimethylcyclohexyl]-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 157217178

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid?
The IUPAC name of 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid (CID 163032179) is 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid.
What is the SMILES notation for 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid?
The canonical SMILES for 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid is CC1CC23CC1CCC2C1(C(=O)O)CCC(O)C(C)(C(=O)O)C1C3C(=O)O.
What is the InChIKey of 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid?
The InChIKey is CQDCLVASIPBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h9-14,21H,3-8H2,1-2H3,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid?
5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,13-dimethyltetracyclo[10.2.1.01,9.03,8]pentadecane-2,4,8-tricarboxylic acid is sourced from PubChem (CID 163032179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).