CID 90393235

C19H35BO6Si — CID 90393235

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)[C@H](OC(=O)CCC(C)=O)C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35BO6Si/c1-11(2)27(12(3)4,13(5)6)26-18-17(15(10-21)24-19(18)20)25-16(23)9-8-14(7)22/h11-13,15,17-19,21H,8-10H2,1-7H3/t15-,17+,18?,19-/m1/s1
InChIKeyCEKHSBOMBPLVDK-NPCOKCSOSA-N
MW398.38 g/mol
LogP2.71
Rot. Bonds10

About CID 90393235

CID 90393235 (PubChem CID 90393235) has the molecular formula C19H35BO6Si and a molecular weight of 398.38 g/mol.

Molecular Properties

Compound NameCID 90393235
PubChem CID90393235
Molecular FormulaC19H35BO6Si
Molecular Weight398.38 g/mol
Exact Mass398.23
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)[C@H](OC(=O)CCC(C)=O)C1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H35BO6Si/c1-11(2)27(12(3)4,13(5)6)26-18-17(15(10-21)24-19(18)20)25-16(23)9-8-14(7)22/h11-13,15,17-19,21H,8-10H2,1-7H3/t15-,17+,18?,19-/m1/s1
InChIKeyCEKHSBOMBPLVDK-NPCOKCSOSA-N
XLogP2.71
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 90393235?
The IUPAC name of CID 90393235 (CID 90393235) is not available.
What is the SMILES notation for CID 90393235?
The canonical SMILES for CID 90393235 is [B][C@@H]1O[C@H](CO)[C@H](OC(=O)CCC(C)=O)C1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of CID 90393235?
The InChIKey is CEKHSBOMBPLVDK-NPCOKCSOSA-N. The full InChI is InChI=1S/C19H35BO6Si/c1-11(2)27(12(3)4,13(5)6)26-18-17(15(10-21)24-19(18)20)25-16(23)9-8-14(7)22/h11-13,15,17-19,21H,8-10H2,1-7H3/t15-,17+,18?,19-/m1/s1.
What are the key properties of CID 90393235?
CID 90393235 has a molecular weight of 398.38 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90393235 is sourced from PubChem (CID 90393235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).