(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

C24H24O4 — CID 6989832

IUPAC(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESO=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OC1CCCCC1
InChIInChI=1S/C24H24O4/c25-23(26)21-19-15-10-4-6-12-17(15)20(18-13-7-5-11-16(18)19)22(21)24(27)28-14-8-2-1-3-9-14/h4-7,10-14,19-22H,1-3,8-9H2,(H,25,26)/t19?,20?,21-,22+/m1/s1
InChIKeyGEBOWCUPSYUTIK-XABBQPORSA-N
MW376.45 g/mol
LogP4.47
Rot. Bonds3

About (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (PubChem CID 6989832) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.

Molecular Properties

Compound Name(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
PubChem CID6989832
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESO=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OC1CCCCC1
InChIInChI=1S/C24H24O4/c25-23(26)21-19-15-10-4-6-12-17(15)20(18-13-7-5-11-16(18)19)22(21)24(27)28-14-8-2-1-3-9-14/h4-7,10-14,19-22H,1-3,8-9H2,(H,25,26)/t19?,20?,21-,22+/m1/s1
InChIKeyGEBOWCUPSYUTIK-XABBQPORSA-N
XLogP4.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid with MolForge

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Related Compounds

(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 6989833
16-propoxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 2828002
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cyclooctyl cyclooctanecarboxylate
CID 57160377
cycloheptyl hydrogen carbonate
CID 23179405
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
16-(2,4,6-triiodophenoxy)carbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 176589365
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclohexyl 1-phenylcyclohexane-1-carboxylate
CID 54206862
(1R,2S,3R,4S)-4-cyclohexyloxycarbonyl-5-methyl-1-phenylbicyclo[1.1.1]pentane-2-carboxylic acid
CID 130428415
(4-cyclohexyloxycarbonylcyclohexyl) 4-(2-phenylethynyl)benzoate
CID 20724292

Frequently Asked Questions

What is the IUPAC name of (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The IUPAC name of (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (CID 6989832) is (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
What is the SMILES notation for (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The canonical SMILES for (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OC1CCCCC1.
What is the InChIKey of (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The InChIKey is GEBOWCUPSYUTIK-XABBQPORSA-N. The full InChI is InChI=1S/C24H24O4/c25-23(26)21-19-15-10-4-6-12-17(15)20(18-13-7-5-11-16(18)19)22(21)24(27)28-14-8-2-1-3-9-14/h4-7,10-14,19-22H,1-3,8-9H2,(H,25,26)/t19?,20?,21-,22+/m1/s1.
What are the key properties of (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid has a molecular weight of 376.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is sourced from PubChem (CID 6989832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).