CID 59620693

C32H93NO20Si19 — CID 59620693

IUPAC—
SMILESC[Si](C)(C)O[Si]O[Si]1(O[Si](C)(C)C)O[Si]2(O[Si](C)(C)C)O[Si]3(O[Si](C)(C)C)O[Si]O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)CCCN([Si](C)(C)C)[Si](C)(C)C)(O1)O4
InChIInChI=1S/C32H93NO20Si19/c1-56(2,3)33(57(4,5)6)31-30-32-65(28,29)44-72-49-66(38-59(10,11)12,35-54-34-58(7,8)9)45-69(41-62(19,20)21)46-67(39-60(13,14)15)36-55-37-68(50-72,40-61(16,17)18)48-70(47-67,42-63(22,23)24)52-71(51-69,53-72)43-64(25,26)27/h30-32H2,1-29H3
InChIKeyLFNNKPOBGYFUAH-UHFFFAOYSA-N
MW1345.72 g/mol
LogP8.90
Rot. Bonds24

About CID 59620693

CID 59620693 (PubChem CID 59620693) has the molecular formula C32H93NO20Si19 and a molecular weight of 1345.72 g/mol.

Molecular Properties

Compound NameCID 59620693
PubChem CID59620693
Molecular FormulaC32H93NO20Si19
Molecular Weight1345.72 g/mol
Exact Mass1343.19
IUPAC Name—
SMILESC[Si](C)(C)O[Si]O[Si]1(O[Si](C)(C)C)O[Si]2(O[Si](C)(C)C)O[Si]3(O[Si](C)(C)C)O[Si]O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)CCCN([Si](C)(C)C)[Si](C)(C)C)(O1)O4
InChIInChI=1S/C32H93NO20Si19/c1-56(2,3)33(57(4,5)6)31-30-32-65(28,29)44-72-49-66(38-59(10,11)12,35-54-34-58(7,8)9)45-69(41-62(19,20)21)46-67(39-60(13,14)15)36-55-37-68(50-72,40-61(16,17)18)48-70(47-67,42-63(22,23)24)52-71(51-69,53-72)43-64(25,26)27/h30-32H2,1-29H3
InChIKeyLFNNKPOBGYFUAH-UHFFFAOYSA-N
XLogP8.90
TPSA187.84 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.72
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59620693?
The IUPAC name of CID 59620693 (CID 59620693) is not available.
What is the SMILES notation for CID 59620693?
The canonical SMILES for CID 59620693 is C[Si](C)(C)O[Si]O[Si]1(O[Si](C)(C)C)O[Si]2(O[Si](C)(C)C)O[Si]3(O[Si](C)(C)C)O[Si]O[Si]4(O[Si](C)(C)C)O[Si](O[Si](C)(C)C)(O3)O[Si](O[Si](C)(C)C)(O2)O[Si](O[Si](C)(C)CCCN([Si](C)(C)C)[Si](C)(C)C)(O1)O4.
What is the InChIKey of CID 59620693?
The InChIKey is LFNNKPOBGYFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H93NO20Si19/c1-56(2,3)33(57(4,5)6)31-30-32-65(28,29)44-72-49-66(38-59(10,11)12,35-54-34-58(7,8)9)45-69(41-62(19,20)21)46-67(39-60(13,14)15)36-55-37-68(50-72,40-61(16,17)18)48-70(47-67,42-63(22,23)24)52-71(51-69,53-72)43-64(25,26)27/h30-32H2,1-29H3.
What are the key properties of CID 59620693?
CID 59620693 has a molecular weight of 1345.72 g/mol, XLogP of 8.90, 24 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59620693 is sourced from PubChem (CID 59620693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).