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

C24H23O4- — CID 6989833

IUPAC(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
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)/p-1/t19?,20?,21-,22-/m0/s1
InChIKeyGEBOWCUPSYUTIK-UJKMTWAASA-M
MW375.44 g/mol
LogP3.14
Rot. Bonds3

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

(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (PubChem CID 6989833) has the molecular formula C24H23O4- and a molecular weight of 375.44 g/mol. Its IUPAC name is (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.

Molecular Properties

Compound Name(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
PubChem CID6989833
Molecular FormulaC24H23O4-
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
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)/p-1/t19?,20?,21-,22-/m0/s1
InChIKeyGEBOWCUPSYUTIK-UJKMTWAASA-M
XLogP3.14
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(15R,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6989832
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclooctyl cyclooctanecarboxylate
CID 57160377
4-[16-(2-cyclohexyloxyphenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carbonyl]oxy-5,6,7,8-tetrahydronaphthalene-1-sulfonate
CID 176879560
cyclohexyl 2-methylidene-4-(2-nitrophenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4208556
cycloheptyl hydrogen carbonate
CID 23179405
cyclohexyl 2-(2-fluorophenyl)acetate
CID 78840084
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclohexyl 2-aminobenzoate
CID 24510
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751
dicyclohexyl 2-[3-(9H-fluoren-9-yl)propyl]propanedioate
CID 175127234

Frequently Asked Questions

What is the IUPAC name of (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The IUPAC name of (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (CID 6989833) is (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.
What is the SMILES notation for (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The canonical SMILES for (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OC1CCCCC1.
What is the InChIKey of (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The InChIKey is GEBOWCUPSYUTIK-UJKMTWAASA-M. 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)/p-1/t19?,20?,21-,22-/m0/s1.
What are the key properties of (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
(15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate has a molecular weight of 375.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16S)-16-cyclohexyloxycarbonyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is sourced from PubChem (CID 6989833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).