12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

C43H69NO10 — CID 56977384

About 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (PubChem CID 56977384) has the molecular formula C43H69NO10 and a molecular weight of 760.02 g/mol. Its IUPAC name is 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.

Molecular Properties

• Compound Name: 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
• PubChem CID: 56977384
• Molecular Formula: C43H69NO10
• Molecular Weight: 760.02 g/mol
• Exact Mass: 759.49
• IUPAC Name: 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
• SMILES: CCCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCCCC3)C(C)C(O)CC1=O)C(C)CC2OC
• InChI: InChI=1S/C43H69NO10/c1-9-15-32-21-26(2)20-27(3)22-36(51-7)39-37(52-8)24-29(5)43(50,54-39)40(47)41(48)44-19-14-13-18-33(44)42(49)53-38(30(6)34(45)25-35(32)46)28(4)23-31-16-11-10-12-17-31/h21,23,27,29-34,36-39,45,50H,9-20,22,24-25H2,1-8H3
• InChIKey: UVZZMZVDHWNNTN-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 148.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.02
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone?

The IUPAC name of 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CID 56977384) is 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.

What is the SMILES notation for 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone?

The canonical SMILES for 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone is CCCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCCCC3)C(C)C(O)CC1=O)C(C)CC2OC.

What is the InChIKey of 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone?

The InChIKey is UVZZMZVDHWNNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H69NO10/c1-9-15-32-21-26(2)20-27(3)22-36(51-7)39-37(52-8)24-29(5)43(50,54-39)40(47)41(48)44-19-14-13-18-33(44)42(49)53-38(30(6)34(45)25-35(32)46)28(4)23-31-16-11-10-12-17-31/h21,23,27,29-34,36-39,45,50H,9-20,22,24-25H2,1-8H3.

What are the key properties of 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone?

12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone has a molecular weight of 760.02 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(1-cyclohexylprop-1-en-2-yl)-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-propyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone is sourced from PubChem (CID 56977384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).