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

C44H84O12Si8 — CID 101363187

IUPAC1,3,5,7,9,11,15-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
SMILESC[Si]1(C)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si]4(C5CCCCC5)O[Si](C5CCCCC5)(O1)O[Si](C1CCCCC1)(O2)O[Si](C1CCCCC1)(O3)O4
InChIInChI=1S/C44H84O12Si8/c1-57(2)46-59(39-26-12-4-13-27-39)50-61(41-30-16-6-17-31-41)48-58(45,38-24-10-3-11-25-38)49-62(42-32-18-7-19-33-42)51-60(47-57,40-28-14-5-15-29-40)53-63(52-59,43-34-20-8-21-35-43)56-64(54-61,55-62)44-36-22-9-23-37-44/h38-45H,3-37H2,1-2H3
InChIKeyQRWHHCSQSGOQHI-UHFFFAOYSA-N
MW1029.83 g/mol
LogP12.83
Rot. Bonds7

About 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

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 (PubChem CID 101363187) has the molecular formula C44H84O12Si8 and a molecular weight of 1029.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,5,7,9,11,15-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
PubChem CID101363187
Molecular FormulaC44H84O12Si8
Molecular Weight1029.83 g/mol
Exact Mass1028.41
IUPAC Name1,3,5,7,9,11,15-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
SMILESC[Si]1(C)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si]4(C5CCCCC5)O[Si](C5CCCCC5)(O1)O[Si](C1CCCCC1)(O2)O[Si](C1CCCCC1)(O3)O4
InChIInChI=1S/C44H84O12Si8/c1-57(2)46-59(39-26-12-4-13-27-39)50-61(41-30-16-6-17-31-41)48-58(45,38-24-10-3-11-25-38)49-62(42-32-18-7-19-33-42)51-60(47-57,40-28-14-5-15-29-40)53-63(52-59,43-34-20-8-21-35-43)56-64(54-61,55-62)44-36-22-9-23-37-44/h38-45H,3-37H2,1-2H3
InChIKeyQRWHHCSQSGOQHI-UHFFFAOYSA-N
XLogP12.83
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.83
LogP ≤ 512.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
CID 11286233
CID 11286233
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
(1,3,5,7,9,11,13-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
(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
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
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
2,2,4,4,6,6-hexacyclohexyl-1,3,5,2,4,6-trioxatrisilinane
CID 140681788
2,6-dicyclohexyl-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 175419281
1,3-dicyclohexyl-1,3-dimethyl-1,3-disiletane
CID 155899508
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-cyclohexyl-2-methyl-1,3,6,9,12,15,18,21-octaoxa-2-silacyclotricosane
CID 163773600

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(C)O[Si]2(C3CCCCC3)O[Si]3(C4CCCCC4)O[Si](O)(C4CCCCC4)O[Si]4(C5CCCCC5)O[Si](C5CCCCC5)(O1)O[Si](C1CCCCC1)(O2)O[Si](C1CCCCC1)(O3)O4.
What is the InChIKey of 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?
The InChIKey is QRWHHCSQSGOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84O12Si8/c1-57(2)46-59(39-26-12-4-13-27-39)50-61(41-30-16-6-17-31-41)48-58(45,38-24-10-3-11-25-38)49-62(42-32-18-7-19-33-42)51-60(47-57,40-28-14-5-15-29-40)53-63(52-59,43-34-20-8-21-35-43)56-64(54-61,55-62)44-36-22-9-23-37-44/h38-45H,3-37H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1029.83 g/mol, XLogP of 12.83, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101363187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).