12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane

C25H28N2OSSi — CID 176865734

IUPAC12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1sc2ncnc3c2c1Oc1cc2ccccc2cc1-3)(C(C)C)C(C)C
InChIInChI=1S/C25H28N2OSSi/c1-14(2)30(15(3)4,16(5)6)25-23-21-22(26-13-27-24(21)29-25)19-11-17-9-7-8-10-18(17)12-20(19)28-23/h7-16H,1-6H3
InChIKeyGASUFADPJZIZGL-UHFFFAOYSA-N
MW432.67 g/mol
LogP7.50
Rot. Bonds4

About 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane

12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane (PubChem CID 176865734) has the molecular formula C25H28N2OSSi and a molecular weight of 432.67 g/mol. Its IUPAC name is 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane
PubChem CID176865734
Molecular FormulaC25H28N2OSSi
Molecular Weight432.67 g/mol
Exact Mass432.17
IUPAC Name12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane
SMILESCC(C)[Si](c1sc2ncnc3c2c1Oc1cc2ccccc2cc1-3)(C(C)C)C(C)C
InChIInChI=1S/C25H28N2OSSi/c1-14(2)30(15(3)4,16(5)6)25-23-21-22(26-13-27-24(21)29-25)19-11-17-9-7-8-10-18(17)12-20(19)28-23/h7-16H,1-6H3
InChIKeyGASUFADPJZIZGL-UHFFFAOYSA-N
XLogP7.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.67
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane?
The IUPAC name of 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane (CID 176865734) is 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane.
What is the SMILES notation for 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane?
The canonical SMILES for 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane is CC(C)[Si](c1sc2ncnc3c2c1Oc1cc2ccccc2cc1-3)(C(C)C)C(C)C.
What is the InChIKey of 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane?
The InChIKey is GASUFADPJZIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2OSSi/c1-14(2)30(15(3)4,16(5)6)25-23-21-22(26-13-27-24(21)29-25)19-11-17-9-7-8-10-18(17)12-20(19)28-23/h7-16H,1-6H3.
What are the key properties of 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane?
12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane has a molecular weight of 432.67 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxa-15-thia-17,19-diazapentacyclo[11.6.1.02,11.04,9.016,20]icosa-1(20),2,4,6,8,10,13,16,18-nonaen-14-yl-tri(propan-2-yl)silane is sourced from PubChem (CID 176865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).