CID 11366011

C36H62NOSi3Y+2 — CID 11366011

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3CCCC[C]3[C]3CCCC[C]32)[CH]1.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3]
InChIInChI=1S/C30H44OSi.C6H18NSi2.Y/c1-20(2)24-17-14-21(3)18-29(24)31-22-15-16-23(19-22)32(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30;1-8(2,3)7-9(4,5)6;/h15-16,19-21,24,29H,6-14,17-18H2,1-5H3;1-6H3;/q;-1;+3/t21-,24+,29-;;/m1../s1
InChIKeyJFXSBVQYFVHLIS-AXIREMBBSA-N
MW698.06 g/mol
LogP11.05
Rot. Bonds7

About CID 11366011

CID 11366011 (PubChem CID 11366011) has the molecular formula C36H62NOSi3Y+2 and a molecular weight of 698.06 g/mol.

Molecular Properties

Compound NameCID 11366011
PubChem CID11366011
Molecular FormulaC36H62NOSi3Y+2
Molecular Weight698.06 g/mol
Exact Mass697.32
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3CCCC[C]3[C]3CCCC[C]32)[CH]1.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3]
InChIInChI=1S/C30H44OSi.C6H18NSi2.Y/c1-20(2)24-17-14-21(3)18-29(24)31-22-15-16-23(19-22)32(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30;1-8(2,3)7-9(4,5)6;/h15-16,19-21,24,29H,6-14,17-18H2,1-5H3;1-6H3;/q;-1;+3/t21-,24+,29-;;/m1../s1
InChIKeyJFXSBVQYFVHLIS-AXIREMBBSA-N
XLogP11.05
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.06
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 178071017
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Frequently Asked Questions

What is the IUPAC name of CID 11366011?
The IUPAC name of CID 11366011 (CID 11366011) is not available.
What is the SMILES notation for CID 11366011?
The canonical SMILES for CID 11366011 is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C]1[CH][CH][C]([Si](C)(C)[C]2[C]3CCCC[C]3[C]3CCCC[C]32)[CH]1.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3].
What is the InChIKey of CID 11366011?
The InChIKey is JFXSBVQYFVHLIS-AXIREMBBSA-N. The full InChI is InChI=1S/C30H44OSi.C6H18NSi2.Y/c1-20(2)24-17-14-21(3)18-29(24)31-22-15-16-23(19-22)32(4,5)30-27-12-8-6-10-25(27)26-11-7-9-13-28(26)30;1-8(2,3)7-9(4,5)6;/h15-16,19-21,24,29H,6-14,17-18H2,1-5H3;1-6H3;/q;-1;+3/t21-,24+,29-;;/m1../s1.
What are the key properties of CID 11366011?
CID 11366011 has a molecular weight of 698.06 g/mol, XLogP of 11.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11366011 is sourced from PubChem (CID 11366011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).