2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane

C26H26ClNOSi — CID 71497150

IUPAC2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2c3ccc(Cl)cc3c3ccccc3c21
InChIInChI=1S/C26H26ClNOSi/c1-30(2,3)15-14-29-17-28-24-11-7-6-10-22(24)25-20-13-12-18(27)16-23(20)19-8-4-5-9-21(19)26(25)28/h4-13,16H,14-15,17H2,1-3H3
InChIKeyAOJAERRHNMCHAO-UHFFFAOYSA-N
MW432.04 g/mol
LogP8.07
Rot. Bonds5

About 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane

2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane (PubChem CID 71497150) has the molecular formula C26H26ClNOSi and a molecular weight of 432.04 g/mol. Its IUPAC name is 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
PubChem CID71497150
Molecular FormulaC26H26ClNOSi
Molecular Weight432.04 g/mol
Exact Mass431.15
IUPAC Name2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c2ccccc2c2c3ccc(Cl)cc3c3ccccc3c21
InChIInChI=1S/C26H26ClNOSi/c1-30(2,3)15-14-29-17-28-24-11-7-6-10-22(24)25-20-13-12-18(27)16-23(20)19-8-4-5-9-21(19)26(25)28/h4-13,16H,14-15,17H2,1-3H3
InChIKeyAOJAERRHNMCHAO-UHFFFAOYSA-N
XLogP8.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.04
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
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2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
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CID 21135820
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
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2-[2-(dimethylamino)ethyl]-5-methyl-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 6538848
hydroxy-dimethyl-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]silane
CID 24807131
2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
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Frequently Asked Questions

What is the IUPAC name of 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane (CID 71497150) is 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c2ccccc2c2c3ccc(Cl)cc3c3ccccc3c21.
What is the InChIKey of 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is AOJAERRHNMCHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNOSi/c1-30(2,3)15-14-29-17-28-24-11-7-6-10-22(24)25-20-13-12-18(27)16-23(20)19-8-4-5-9-21(19)26(25)28/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane?
2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 432.04 g/mol, XLogP of 8.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10-chloro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71497150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).