trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane

C26H27GeNO — CID 176607048

IUPACtrimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane
SMILESCc1ccc2c(C(C)C)c3c(cc2c1)-c1nccc2ccc([Ge](C)(C)C)c(c12)O3
InChIInChI=1S/C26H27GeNO/c1-15(2)22-19-9-7-16(3)13-18(19)14-20-24-23-17(11-12-28-24)8-10-21(27(4,5)6)26(23)29-25(20)22/h7-15H,1-6H3
InChIKeyANWILSRUIIHLIV-UHFFFAOYSA-N
MW442.12 g/mol
LogP7.14
Rot. Bonds2

About trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane

trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane (PubChem CID 176607048) has the molecular formula C26H27GeNO and a molecular weight of 442.12 g/mol. Its IUPAC name is trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane.

Molecular Properties

Compound Nametrimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane
PubChem CID176607048
Molecular FormulaC26H27GeNO
Molecular Weight442.12 g/mol
Exact Mass443.13
IUPAC Nametrimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane
SMILESCc1ccc2c(C(C)C)c3c(cc2c1)-c1nccc2ccc([Ge](C)(C)C)c(c12)O3
InChIInChI=1S/C26H27GeNO/c1-15(2)22-19-9-7-16(3)13-18(19)14-20-24-23-17(11-12-28-24)8-10-21(27(4,5)6)26(23)29-25(20)22/h7-15H,1-6H3
InChIKeyANWILSRUIIHLIV-UHFFFAOYSA-N
XLogP7.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.12
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane?
The IUPAC name of trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane (CID 176607048) is trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane.
What is the SMILES notation for trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane?
The canonical SMILES for trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane is Cc1ccc2c(C(C)C)c3c(cc2c1)-c1nccc2ccc([Ge](C)(C)C)c(c12)O3.
What is the InChIKey of trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane?
The InChIKey is ANWILSRUIIHLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27GeNO/c1-15(2)22-19-9-7-16(3)13-18(19)14-20-24-23-17(11-12-28-24)8-10-21(27(4,5)6)26(23)29-25(20)22/h7-15H,1-6H3.
What are the key properties of trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane?
trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane has a molecular weight of 442.12 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(6-methyl-10-propan-2-yl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-14-yl)germane is sourced from PubChem (CID 176607048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).