(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one

C31H46N2O6Si2 — CID 100962563

IUPAC(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@H]3[C@H](OC(=O)[C@H]3NN(c3ccccc3)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C31H46N2O6Si2/c1-20(2)40(21(3)4)35-19-26-28(38-41(39-40,22(5)6)23(7)8)30-29(36-26)27(31(34)37-30)32-33(24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,20-23,26-30,32H,19H2,1-8H3/t26-,27+,28-,29-,30-/m1/s1
InChIKeyWKOLMPCGSYCRKM-ONBQWJCTSA-N
MW598.89 g/mol
LogP6.35
Rot. Bonds8

About (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one

(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one (PubChem CID 100962563) has the molecular formula C31H46N2O6Si2 and a molecular weight of 598.89 g/mol. Its IUPAC name is (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one.

Molecular Properties

Compound Name(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one
PubChem CID100962563
Molecular FormulaC31H46N2O6Si2
Molecular Weight598.89 g/mol
Exact Mass598.29
IUPAC Name(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@H]3[C@H](OC(=O)[C@H]3NN(c3ccccc3)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C31H46N2O6Si2/c1-20(2)40(21(3)4)35-19-26-28(38-41(39-40,22(5)6)23(7)8)30-29(36-26)27(31(34)37-30)32-33(24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,20-23,26-30,32H,19H2,1-8H3/t26-,27+,28-,29-,30-/m1/s1
InChIKeyWKOLMPCGSYCRKM-ONBQWJCTSA-N
XLogP6.35
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.89
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one?
The IUPAC name of (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one (CID 100962563) is (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one.
What is the SMILES notation for (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one?
The canonical SMILES for (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H]3[C@H](OC(=O)[C@H]3NN(c3ccccc3)c3ccccc3)[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one?
The InChIKey is WKOLMPCGSYCRKM-ONBQWJCTSA-N. The full InChI is InChI=1S/C31H46N2O6Si2/c1-20(2)40(21(3)4)35-19-26-28(38-41(39-40,22(5)6)23(7)8)30-29(36-26)27(31(34)37-30)32-33(24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,20-23,26-30,32H,19H2,1-8H3/t26-,27+,28-,29-,30-/m1/s1.
What are the key properties of (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one?
(1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one has a molecular weight of 598.89 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6R,8R)-5-(2,2-diphenylhydrazinyl)-11,11,13,13-tetra(propan-2-yl)-3,7,10,12,14-pentaoxa-11,13-disilatricyclo[6.6.0.02,6]tetradecan-4-one is sourced from PubChem (CID 100962563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).