1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

C35H63F3O9Si7 — CID 3644633

IUPAC1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESF[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](F)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](F)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C35H63F3O9Si7/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35/h29-35H,1-28H2
InChIKeyMHANYKIZQPHDKI-UHFFFAOYSA-N
MW881.48 g/mol
LogP11.27
Rot. Bonds7

About 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane (PubChem CID 3644633) has the molecular formula C35H63F3O9Si7 and a molecular weight of 881.48 g/mol. Its IUPAC name is 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.

Molecular Properties

Compound Name1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
PubChem CID3644633
Molecular FormulaC35H63F3O9Si7
Molecular Weight881.48 g/mol
Exact Mass880.28
IUPAC Name1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
SMILESF[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](F)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](F)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3
InChIInChI=1S/C35H63F3O9Si7/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35/h29-35H,1-28H2
InChIKeyMHANYKIZQPHDKI-UHFFFAOYSA-N
XLogP11.27
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.48
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The IUPAC name of 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-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 3644633) is 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane.
What is the SMILES notation for 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The canonical SMILES for 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is F[Si]1(C2CCCC2)O[Si]2(C3CCCC3)O[Si](F)(C3CCCC3)O[Si]3(C4CCCC4)O[Si](F)(C4CCCC4)O[Si](C4CCCC4)(O1)O[Si](C1CCCC1)(O2)O3.
What is the InChIKey of 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
The InChIKey is MHANYKIZQPHDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H63F3O9Si7/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35/h29-35H,1-28H2.
What are the key properties of 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane has a molecular weight of 881.48 g/mol, XLogP of 11.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluoro-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane is sourced from PubChem (CID 3644633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).