14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

C32H34O2 — CID 20759517

IUPAC14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
SMILESCCCC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1
InChIInChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3
InChIKeyPEDJXJZUJMTWBB-UHFFFAOYSA-N
MW450.62 g/mol
LogP8.65
Rot. Bonds3

About 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene

14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (PubChem CID 20759517) has the molecular formula C32H34O2 and a molecular weight of 450.62 g/mol. Its IUPAC name is 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.

Molecular Properties

Compound Name14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
PubChem CID20759517
Molecular FormulaC32H34O2
Molecular Weight450.62 g/mol
Exact Mass450.26
IUPAC Name14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
SMILESCCCC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1
InChIInChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3
InChIKeyPEDJXJZUJMTWBB-UHFFFAOYSA-N
XLogP8.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The IUPAC name of 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene (CID 20759517) is 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene.
What is the SMILES notation for 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The canonical SMILES for 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is CCCC1CCC(C2COc3ccc4ccccc4c3-c3c(ccc4ccccc34)OC2)CC1.
What is the InChIKey of 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
The InChIKey is PEDJXJZUJMTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3.
What are the key properties of 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene?
14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene has a molecular weight of 450.62 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene is sourced from PubChem (CID 20759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).