5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene

C32H34O4 — CID 145288819

About 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene

5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene (PubChem CID 145288819) has the molecular formula C32H34O4 and a molecular weight of 482.62 g/mol. Its IUPAC name is 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene.

Molecular Properties

• Compound Name: 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
• PubChem CID: 145288819
• Molecular Formula: C32H34O4
• Molecular Weight: 482.62 g/mol
• Exact Mass: 482.25
• IUPAC Name: 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
• SMILES: COc1ccc2ccc3c(c2c1)-c1c(ccc2ccc(OC)cc12)OCC(C1CCC(C)CC1)CO3
• InChI: InChI=1S/C32H34O4/c1-20-4-6-21(7-5-20)24-18-35-29-14-10-22-8-12-25(33-2)16-27(22)31(29)32-28-17-26(34-3)13-9-23(28)11-15-30(32)36-19-24/h8-17,20-21,24H,4-7,18-19H2,1-3H3
• InChIKey: NZPXPPIADSXQFS-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.62
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?

The IUPAC name of 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene (CID 145288819) is 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene.

What is the SMILES notation for 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?

The canonical SMILES for 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene is COc1ccc2ccc3c(c2c1)-c1c(ccc2ccc(OC)cc12)OCC(C1CCC(C)CC1)CO3.

What is the InChIKey of 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?

The InChIKey is NZPXPPIADSXQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O4/c1-20-4-6-21(7-5-20)24-18-35-29-14-10-22-8-12-25(33-2)16-27(22)31(29)32-28-17-26(34-3)13-9-23(28)11-15-30(32)36-19-24/h8-17,20-21,24H,4-7,18-19H2,1-3H3.

What are the key properties of 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene?

5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene has a molecular weight of 482.62 g/mol, XLogP of 7.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-dimethoxy-14-(4-methylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene is sourced from PubChem (CID 145288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).