(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane

C26H27GeNO — CID 176606996

IUPAC(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane
SMILESCC(C)(C)c1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C26H27GeNO/c1-26(2,3)22-18-10-8-7-9-17(18)15-19-23-21-16(13-14-28-23)11-12-20(27(4,5)6)25(21)29-24(19)22/h7-15H,1-6H3
InChIKeyIBNBDUZGJCYMNJ-UHFFFAOYSA-N
MW442.12 g/mol
LogP7.00
Rot. Bonds1

About (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane

(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane (PubChem CID 176606996) has the molecular formula C26H27GeNO and a molecular weight of 442.12 g/mol. Its IUPAC name is (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane.

Molecular Properties

Compound Name(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane
PubChem CID176606996
Molecular FormulaC26H27GeNO
Molecular Weight442.12 g/mol
Exact Mass443.13
IUPAC Name(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane
SMILESCC(C)(C)c1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C26H27GeNO/c1-26(2,3)22-18-10-8-7-9-17(18)15-19-23-21-16(13-14-28-23)11-12-20(27(4,5)6)25(21)29-24(19)22/h7-15H,1-6H3
InChIKeyIBNBDUZGJCYMNJ-UHFFFAOYSA-N
XLogP7.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.12
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane?
The IUPAC name of (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane (CID 176606996) is (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane.
What is the SMILES notation for (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane?
The canonical SMILES for (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane is CC(C)(C)c1c2c(cc3ccccc13)-c1nccc3ccc([Ge](C)(C)C)c(c13)O2.
What is the InChIKey of (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane?
The InChIKey is IBNBDUZGJCYMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27GeNO/c1-26(2,3)22-18-10-8-7-9-17(18)15-19-23-21-16(13-14-28-23)11-12-20(27(4,5)6)25(21)29-24(19)22/h7-15H,1-6H3.
What are the key properties of (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane?
(10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane has a molecular weight of 442.12 g/mol, XLogP of 7.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-14-yl)-trimethylgermane is sourced from PubChem (CID 176606996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).