(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

C37H70O13Si9 — CID 4578031

IUPAC(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
SMILESC[SiH](C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C37H70O13Si9/c1-51(2)38-59-48-56(35-25-11-12-26-35)42-53(32-19-5-6-20-32)39-52(31-17-3-4-18-31)40-54(44-56,33-21-7-8-22-33)46-58(50-59,37-29-15-16-30-37)47-55(41-52,34-23-9-10-24-34)45-57(43-53,49-59)36-27-13-14-28-36/h31-37,51H,3-30H2,1-2H3
InChIKeyNKGDJBPGEZJYEX-UHFFFAOYSA-N
MW975.73 g/mol
LogP9.87
Rot. Bonds9

About (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

(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 (PubChem CID 4578031) has the molecular formula C37H70O13Si9 and a molecular weight of 975.73 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID4578031
Molecular FormulaC37H70O13Si9
Molecular Weight975.73 g/mol
Exact Mass974.27
IUPAC Name(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
SMILESC[SiH](C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1
InChIInChI=1S/C37H70O13Si9/c1-51(2)38-59-48-56(35-25-11-12-26-35)42-53(32-19-5-6-20-32)39-52(31-17-3-4-18-31)40-54(44-56,33-21-7-8-22-33)46-58(50-59,37-29-15-16-30-37)47-55(41-52,34-23-9-10-24-34)45-57(43-53,49-59)36-27-13-14-28-36/h31-37,51H,3-30H2,1-2H3
InChIKeyNKGDJBPGEZJYEX-UHFFFAOYSA-N
XLogP9.87
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.73
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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CID 4079505
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CID 4080431
CID 4080431

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[SiH](C)O[Si]12O[Si]3(C4CCCC4)O[Si]4(C5CCCC5)O[Si](C5CCCC5)(O1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O2)O[Si](C2CCCC2)(O3)O[Si](C2CCCC2)(O4)O1.
What is the InChIKey of (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?
The InChIKey is NKGDJBPGEZJYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70O13Si9/c1-51(2)38-59-48-56(35-25-11-12-26-35)42-53(32-19-5-6-20-32)39-52(31-17-3-4-18-31)40-54(44-56,33-21-7-8-22-33)46-58(50-59,37-29-15-16-30-37)47-55(41-52,34-23-9-10-24-34)45-57(43-53,49-59)36-27-13-14-28-36/h31-37,51H,3-30H2,1-2H3.
What are the key properties of (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?
(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 has a molecular weight of 975.73 g/mol, XLogP of 9.87, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 4578031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).