CID 59137187

C18H39BO5Si2 — CID 59137187

IUPAC—
SMILES[B][C@@H]1OC(CO)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39BO5Si2/c1-16(2,3)25(7,8)23-13-14(24-26(9,10)17(4,5)6)18(11-20,12-21)22-15(13)19/h13-15,20-21H,11-12H2,1-10H3/t13?,14-,15+/m0/s1
InChIKeyXABWLRNNMPGJRR-NOYMGPGASA-N
MW402.49 g/mol
LogP3.02
Rot. Bonds6

About CID 59137187

CID 59137187 (PubChem CID 59137187) has the molecular formula C18H39BO5Si2 and a molecular weight of 402.49 g/mol.

Molecular Properties

Compound NameCID 59137187
PubChem CID59137187
Molecular FormulaC18H39BO5Si2
Molecular Weight402.49 g/mol
Exact Mass402.24
IUPAC Name—
SMILES[B][C@@H]1OC(CO)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39BO5Si2/c1-16(2,3)25(7,8)23-13-14(24-26(9,10)17(4,5)6)18(11-20,12-21)22-15(13)19/h13-15,20-21H,11-12H2,1-10H3/t13?,14-,15+/m0/s1
InChIKeyXABWLRNNMPGJRR-NOYMGPGASA-N
XLogP3.02
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 59137187?
The IUPAC name of CID 59137187 (CID 59137187) is not available.
What is the SMILES notation for CID 59137187?
The canonical SMILES for CID 59137187 is [B][C@@H]1OC(CO)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 59137187?
The InChIKey is XABWLRNNMPGJRR-NOYMGPGASA-N. The full InChI is InChI=1S/C18H39BO5Si2/c1-16(2,3)25(7,8)23-13-14(24-26(9,10)17(4,5)6)18(11-20,12-21)22-15(13)19/h13-15,20-21H,11-12H2,1-10H3/t13?,14-,15+/m0/s1.
What are the key properties of CID 59137187?
CID 59137187 has a molecular weight of 402.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59137187 is sourced from PubChem (CID 59137187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).