CID 89222911

C20H41BO4Si2 — CID 89222911

IUPAC—
SMILES[B][C@@H]1O[C@@](CO)(CC=C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO4Si2/c1-12-13-20(14-22)16(25-27(10,11)19(5,6)7)15(17(21)23-20)24-26(8,9)18(2,3)4/h12,15-17,22H,1,13-14H2,2-11H3/t15-,16+,17-,20-/m1/s1
InChIKeyJVEVYRQYZCEFOM-AXVVYFOYSA-N
MW412.53 g/mol
LogP4.60
Rot. Bonds7

About CID 89222911

CID 89222911 (PubChem CID 89222911) has the molecular formula C20H41BO4Si2 and a molecular weight of 412.53 g/mol.

Molecular Properties

Compound NameCID 89222911
PubChem CID89222911
Molecular FormulaC20H41BO4Si2
Molecular Weight412.53 g/mol
Exact Mass412.26
IUPAC Name—
SMILES[B][C@@H]1O[C@@](CO)(CC=C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO4Si2/c1-12-13-20(14-22)16(25-27(10,11)19(5,6)7)15(17(21)23-20)24-26(8,9)18(2,3)4/h12,15-17,22H,1,13-14H2,2-11H3/t15-,16+,17-,20-/m1/s1
InChIKeyJVEVYRQYZCEFOM-AXVVYFOYSA-N
XLogP4.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89222911?
The IUPAC name of CID 89222911 (CID 89222911) is not available.
What is the SMILES notation for CID 89222911?
The canonical SMILES for CID 89222911 is [B][C@@H]1O[C@@](CO)(CC=C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 89222911?
The InChIKey is JVEVYRQYZCEFOM-AXVVYFOYSA-N. The full InChI is InChI=1S/C20H41BO4Si2/c1-12-13-20(14-22)16(25-27(10,11)19(5,6)7)15(17(21)23-20)24-26(8,9)18(2,3)4/h12,15-17,22H,1,13-14H2,2-11H3/t15-,16+,17-,20-/m1/s1.
What are the key properties of CID 89222911?
CID 89222911 has a molecular weight of 412.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89222911 is sourced from PubChem (CID 89222911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).