[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane

C41H84O12Si10 — CID 3482780

IUPAC[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[SiH](C)C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[SiH](C)C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C41H84O12Si10/c1-54(2)42-57(35-21-7-8-22-35)45-60(38-27-13-14-28-38)47-58(43-55(3)4,36-23-9-10-24-36)49-62(40-31-17-18-32-40)50-59(44-56(5)6,37-25-11-12-26-37)48-61(46-57,39-29-15-16-30-39)52-63(51-60,53-62)41-33-19-20-34-41/h35-41,54-56H,7-34H2,1-6H3
InChIKeyBACQGVYLIUAWHR-UHFFFAOYSA-N
MW1049.97 g/mol
LogP11.36
Rot. Bonds13

About [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane

[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane (PubChem CID 3482780) has the molecular formula C41H84O12Si10 and a molecular weight of 1049.97 g/mol. Its IUPAC name is [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
PubChem CID3482780
Molecular FormulaC41H84O12Si10
Molecular Weight1049.97 g/mol
Exact Mass1048.37
IUPAC Name[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[SiH](C)C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[SiH](C)C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C41H84O12Si10/c1-54(2)42-57(35-21-7-8-22-35)45-60(38-27-13-14-28-38)47-58(43-55(3)4,36-23-9-10-24-36)49-62(40-31-17-18-32-40)50-59(44-56(5)6,37-25-11-12-26-37)48-61(46-57,39-29-15-16-30-39)52-63(51-60,53-62)41-33-19-20-34-41/h35-41,54-56H,7-34H2,1-6H3
InChIKeyBACQGVYLIUAWHR-UHFFFAOYSA-N
XLogP11.36
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.97
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The IUPAC name of [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane (CID 3482780) is [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The canonical SMILES for [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane is C[SiH](C)O[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](O[SiH](C)C)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](O[SiH](C)C)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.
What is the InChIKey of [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The InChIKey is BACQGVYLIUAWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H84O12Si10/c1-54(2)42-57(35-21-7-8-22-35)45-60(38-27-13-14-28-38)47-58(43-55(3)4,36-23-9-10-24-36)49-62(40-31-17-18-32-40)50-59(44-56(5)6,37-25-11-12-26-37)48-61(46-57,39-29-15-16-30-39)52-63(51-60,53-62)41-33-19-20-34-41/h35-41,54-56H,7-34H2,1-6H3.
What are the key properties of [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
[1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane has a molecular weight of 1049.97 g/mol, XLogP of 11.36, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3,5,7,9,11,14-heptacyclopentyl-7,14-bis(dimethylsilyloxy)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 3482780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).