CID 59891948

C14H27O4Si — CID 59891948

IUPAC—
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1[CH]O
InChIInChI=1S/C14H27O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12,15H,1-7H3/t9-,10+,11-,12-/m0/s1
InChIKeyDLJXOPNLRORHBS-USZNOCQGSA-N
MW287.45 g/mol
LogP3.11
Rot. Bonds3

About CID 59891948

CID 59891948 (PubChem CID 59891948) has the molecular formula C14H27O4Si and a molecular weight of 287.45 g/mol.

Molecular Properties

Compound NameCID 59891948
PubChem CID59891948
Molecular FormulaC14H27O4Si
Molecular Weight287.45 g/mol
Exact Mass287.17
IUPAC Name—
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1[CH]O
InChIInChI=1S/C14H27O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12,15H,1-7H3/t9-,10+,11-,12-/m0/s1
InChIKeyDLJXOPNLRORHBS-USZNOCQGSA-N
XLogP3.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 59891948?
The IUPAC name of CID 59891948 (CID 59891948) is not available.
What is the SMILES notation for CID 59891948?
The canonical SMILES for CID 59891948 is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H]1[CH]O.
What is the InChIKey of CID 59891948?
The InChIKey is DLJXOPNLRORHBS-USZNOCQGSA-N. The full InChI is InChI=1S/C14H27O4Si/c1-9-11(8-15)17-13(16)10(2)12(9)18-19(6,7)14(3,4)5/h8-12,15H,1-7H3/t9-,10+,11-,12-/m0/s1.
What are the key properties of CID 59891948?
CID 59891948 has a molecular weight of 287.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59891948 is sourced from PubChem (CID 59891948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).