(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane

C45H86O11Si8 — CID 101363185

IUPAC(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si]1(C4CCCCC4)O[Si](C4CCCCC4)(O2)O[Si](C2CCCCC2)(O3)O1
InChIInChI=1S/C45H86O11Si8/c1-57(2,3)46-58(39-25-11-4-12-26-39)47-59(40-27-13-5-14-28-40)49-61(42-31-17-7-18-32-42)50-60(48-58,41-29-15-6-16-30-41)52-63(44-35-21-9-22-36-44)54-62(51-59,43-33-19-8-20-34-43)55-64(53-61,56-63)45-37-23-10-24-38-45/h39-45H,4-38H2,1-3H3
InChIKeyBSKXTMLZZRPFKX-UHFFFAOYSA-N
MW1027.86 g/mol
LogP13.97
Rot. Bonds9

About (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane

(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane (PubChem CID 101363185) has the molecular formula C45H86O11Si8 and a molecular weight of 1027.86 g/mol. Its IUPAC name is (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane
PubChem CID101363185
Molecular FormulaC45H86O11Si8
Molecular Weight1027.86 g/mol
Exact Mass1026.43
IUPAC Name(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si]1(C4CCCCC4)O[Si](C4CCCCC4)(O2)O[Si](C2CCCCC2)(O3)O1
InChIInChI=1S/C45H86O11Si8/c1-57(2,3)46-58(39-25-11-4-12-26-39)47-59(40-27-13-5-14-28-40)49-61(42-31-17-7-18-32-42)50-60(48-58,41-29-15-6-16-30-41)52-63(44-35-21-9-22-36-44)54-62(51-59,43-33-19-8-20-34-43)55-64(53-61,56-63)45-37-23-10-24-38-45/h39-45H,4-38H2,1-3H3
InChIKeyBSKXTMLZZRPFKX-UHFFFAOYSA-N
XLogP13.97
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.86
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane with MolForge

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Related Compounds

[(1R,3S,5S,7R,9S,11R,14S)-7-[(1S,4Z)-cyclooct-4-en-1-yl]oxy-1,3,5,7,9,11,14-heptacyclopentyl-14-hydroxy-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-trimethylsilane
CID 139183881
1,3,5,7,9,11,13,15,17,19-decacyclopentyl-2,4,6,8,10,12,14,16,18,20,21,22,23,24,25-pentadecaoxa-1,3,5,7,9,11,13,15,17,19-decasilahexacyclo[9.9.1.13,9.15,17.17,15.113,19]pentacosane
CID 139045101
1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
CID 4549737
(3,5,7,9,11,13,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)oxy-dimethylsilane
CID 4578031
1,3,5,7,9,11,15-heptacyclohexyl-7-hydroxy-13,13-dimethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecane
CID 101363187
methyl 3-(3,5,7,9,11,13,15-heptacyclopentyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propanoate
CID 5166797
bis(1,3,5,7,9,11,14-heptacyclohexyl-3,7,14-trioxido-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane);N,N,N',N'-tetramethylethane-1,2-diamine;uranium
CID 139170070
CID 11286233
CID 11286233
3-(3,5,7,9,11,13,15-heptacyclohexyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propyl prop-2-enoate
CID 101437426
2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
CID 140681788
2,4,6-tricyclopentyl-2,4,6-tris(methoxymethyl)-1,3,5,2,4,6-trioxatrisilinane
CID 68656499
2,4,6-tricyclohexyl-2,4,6-tris[(2-methylpropan-2-yl)oxymethyl]-1,3,5,2,4,6-trioxatrisilinane
CID 68656094

Frequently Asked Questions

What is the IUPAC name of (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane?
The IUPAC name of (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane (CID 101363185) is (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane.
What is the SMILES notation for (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane?
The canonical SMILES for (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane is C[Si](C)(C)O[Si]1(C2CCCCC2)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](C4CCCCC4)(O1)O[Si]1(C4CCCCC4)O[Si](C4CCCCC4)(O2)O[Si](C2CCCCC2)(O3)O1.
What is the InChIKey of (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane?
The InChIKey is BSKXTMLZZRPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H86O11Si8/c1-57(2,3)46-58(39-25-11-4-12-26-39)47-59(40-27-13-5-14-28-40)49-61(42-31-17-7-18-32-42)50-60(48-58,41-29-15-6-16-30-41)52-63(44-35-21-9-22-36-44)54-62(51-59,43-33-19-8-20-34-43)55-64(53-61,56-63)45-37-23-10-24-38-45/h39-45H,4-38H2,1-3H3.
What are the key properties of (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane?
(1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane has a molecular weight of 1027.86 g/mol, XLogP of 13.97, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5,7,9,11,13-heptacyclohexyl-2,4,6,8,10,12,14,15,16,17-decaoxa-1,3,5,7,9,11,13-heptasilatetracyclo[7.5.1.13,7.15,11]heptadecan-13-yl)oxy-trimethylsilane is sourced from PubChem (CID 101363185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).