trimethyl-[(10-propan-2-yl-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)methyl]germane

C26H27GeNO — CID 176607064

IUPACtrimethyl-[(10-propan-2-yl-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)methyl]germane
SMILESCC(C)c1c2c(cc3ccccc13)-c1nccc3ccc(C[Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C26H27GeNO/c1-16(2)22-20-9-7-6-8-18(20)14-21-24-23-17(12-13-28-24)10-11-19(15-27(3,4)5)25(23)29-26(21)22/h6-14,16H,15H2,1-5H3
InChIKeyLDRHKEUKZWGCRJ-UHFFFAOYSA-N
MW442.12 g/mol
LogP7.70
Rot. Bonds3

About trimethyl-[(10-propan-2-yl-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)methyl]germane

trimethyl-[(10-propan-2-yl-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)methyl]germane (PubChem CID 176607064) has the molecular formula C26H27GeNO and a molecular weight of 442.12 g/mol. Its IUPAC name is trimethyl-[(10-propan-2-yl-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)methyl]germane.

Molecular Properties

Compound Nametrimethyl-[(10-propan-2-yl-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)methyl]germane
PubChem CID176607064
Molecular FormulaC26H27GeNO
Molecular Weight442.12 g/mol
Exact Mass443.13
IUPAC Nametrimethyl-[(10-propan-2-yl-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)methyl]germane
SMILESCC(C)c1c2c(cc3ccccc13)-c1nccc3ccc(C[Ge](C)(C)C)c(c13)O2
InChIInChI=1S/C26H27GeNO/c1-16(2)22-20-9-7-6-8-18(20)14-21-24-23-17(12-13-28-24)10-11-19(15-27(3,4)5)25(23)29-26(21)22/h6-14,16H,15H2,1-5H3
InChIKeyLDRHKEUKZWGCRJ-UHFFFAOYSA-N
XLogP7.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.12
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trimethyl-[(10-propan-2-yl-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)methyl]germane with MolForge

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Related Compounds

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
trimethyl-(10-methyl-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)germane
CID 176607029
(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
[15-(2,2-dimethylpropyl)-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-10-yl]methyl-trimethylgermane
CID 176606976
15-tert-butyl-12-oxa-20-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
CID 164748209
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
trimethyl-(12-phenyl-12,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)silane
CID 164749189
10,15,15-trimethylspiro[12-oxa-23-azahexacyclo[11.10.1.02,11.04,9.014,18.020,24]tetracosa-1(23),2,4,6,8,10,13(24),14(18),19,21-decaene-17,1'-cyclopentane]
CID 176812453
[10-(2,2-dimethylpropyl)-15-methyl-12-oxa-20-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-16-yl]-trimethylgermane
CID 176607021
1-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 63948418
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703
1-[2-(4-methylphenyl)naphthalen-1-yl]benzo[h]isoquinoline
CID 166440362

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(10-propan-2-yl-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)methyl]germane?
The IUPAC name of trimethyl-[(10-propan-2-yl-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)methyl]germane (CID 176607064) is trimethyl-[(10-propan-2-yl-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)methyl]germane.
What is the SMILES notation for trimethyl-[(10-propan-2-yl-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)methyl]germane?
The canonical SMILES for trimethyl-[(10-propan-2-yl-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)methyl]germane is CC(C)c1c2c(cc3ccccc13)-c1nccc3ccc(C[Ge](C)(C)C)c(c13)O2.
What is the InChIKey of trimethyl-[(10-propan-2-yl-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)methyl]germane?
The InChIKey is LDRHKEUKZWGCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27GeNO/c1-16(2)22-20-9-7-6-8-18(20)14-21-24-23-17(12-13-28-24)10-11-19(15-27(3,4)5)25(23)29-26(21)22/h6-14,16H,15H2,1-5H3.
What are the key properties of trimethyl-[(10-propan-2-yl-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)methyl]germane?
trimethyl-[(10-propan-2-yl-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)methyl]germane has a molecular weight of 442.12 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(10-propan-2-yl-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)methyl]germane is sourced from PubChem (CID 176607064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).