17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one

C33H47NO4 — CID 4215576

IUPAC17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one
SMILESCCCN1CC2(CCC3C45C=CC6(C=C4C(=O)C4CCCCC4)CC(O)CCC6(C)C5CCC32C)OC1=O
InChIInChI=1S/C33H47NO4/c1-4-18-34-21-32(38-28(34)37)15-12-26-30(32,3)14-11-25-29(2)13-10-23(35)19-31(29)16-17-33(25,26)24(20-31)27(36)22-8-6-5-7-9-22/h16-17,20,22-23,25-26,35H,4-15,18-19,21H2,1-3H3
InChIKeyWXJVVDNXCZFQRE-UHFFFAOYSA-N
MW521.74 g/mol
LogP6.60
Rot. Bonds4

About 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one

17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one (PubChem CID 4215576) has the molecular formula C33H47NO4 and a molecular weight of 521.74 g/mol. Its IUPAC name is 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one.

Molecular Properties

Compound Name17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one
PubChem CID4215576
Molecular FormulaC33H47NO4
Molecular Weight521.74 g/mol
Exact Mass521.35
IUPAC Name17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one
SMILESCCCN1CC2(CCC3C45C=CC6(C=C4C(=O)C4CCCCC4)CC(O)CCC6(C)C5CCC32C)OC1=O
InChIInChI=1S/C33H47NO4/c1-4-18-34-21-32(38-28(34)37)15-12-26-30(32,3)14-11-25-29(2)13-10-23(35)19-31(29)16-17-33(25,26)24(20-31)27(36)22-8-6-5-7-9-22/h16-17,20,22-23,25-26,35H,4-15,18-19,21H2,1-3H3
InChIKeyWXJVVDNXCZFQRE-UHFFFAOYSA-N
XLogP6.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.74
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?
The IUPAC name of 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one (CID 4215576) is 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one.
What is the SMILES notation for 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?
The canonical SMILES for 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one is CCCN1CC2(CCC3C45C=CC6(C=C4C(=O)C4CCCCC4)CC(O)CCC6(C)C5CCC32C)OC1=O.
What is the InChIKey of 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?
The InChIKey is WXJVVDNXCZFQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47NO4/c1-4-18-34-21-32(38-28(34)37)15-12-26-30(32,3)14-11-25-29(2)13-10-23(35)19-31(29)16-17-33(25,26)24(20-31)27(36)22-8-6-5-7-9-22/h16-17,20,22-23,25-26,35H,4-15,18-19,21H2,1-3H3.
What are the key properties of 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one?
17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one has a molecular weight of 521.74 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-(cyclohexanecarbonyl)-13'-hydroxy-6',10'-dimethyl-3-propylspiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-diene]-2-one is sourced from PubChem (CID 4215576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).