CID 88579846

C20H39BO5Si2 — CID 88579846

IUPAC—
SMILES[B]C1OC2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(O)CC=C
InChIInChI=1S/C20H39BO5Si2/c1-10-11-20(22)18-17(24-19(20)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-19,22H,1,11-12H2,2-9H3/t17?,18-,19?,20+/m1/s1
InChIKeyQRKVXCWWEZKSBJ-NBDWZHNGSA-N
MW426.51 g/mol
LogP4.14
Rot. Bonds6

About CID 88579846

CID 88579846 (PubChem CID 88579846) has the molecular formula C20H39BO5Si2 and a molecular weight of 426.51 g/mol.

Molecular Properties

Compound NameCID 88579846
PubChem CID88579846
Molecular FormulaC20H39BO5Si2
Molecular Weight426.51 g/mol
Exact Mass426.24
IUPAC Name—
SMILES[B]C1OC2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(O)CC=C
InChIInChI=1S/C20H39BO5Si2/c1-10-11-20(22)18-17(24-19(20)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-19,22H,1,11-12H2,2-9H3/t17?,18-,19?,20+/m1/s1
InChIKeyQRKVXCWWEZKSBJ-NBDWZHNGSA-N
XLogP4.14
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 88579846?
The IUPAC name of CID 88579846 (CID 88579846) is not available.
What is the SMILES notation for CID 88579846?
The canonical SMILES for CID 88579846 is [B]C1OC2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@@]1(O)CC=C.
What is the InChIKey of CID 88579846?
The InChIKey is QRKVXCWWEZKSBJ-NBDWZHNGSA-N. The full InChI is InChI=1S/C20H39BO5Si2/c1-10-11-20(22)18-17(24-19(20)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-19,22H,1,11-12H2,2-9H3/t17?,18-,19?,20+/m1/s1.
What are the key properties of CID 88579846?
CID 88579846 has a molecular weight of 426.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88579846 is sourced from PubChem (CID 88579846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).