CID 57236640

C13H27O2Si — CID 57236640

IUPAC—
SMILESCCCOC(OCC[Si](C)C)=C(CC)CC
InChIInChI=1S/C13H27O2Si/c1-6-9-14-13(12(7-2)8-3)15-10-11-16(4)5/h6-11H2,1-5H3
InChIKeyRRZPUIDGGOARKJ-UHFFFAOYSA-N
MW243.44 g/mol
LogP4.22
Rot. Bonds9

About CID 57236640

CID 57236640 (PubChem CID 57236640) has the molecular formula C13H27O2Si and a molecular weight of 243.44 g/mol.

Molecular Properties

Compound NameCID 57236640
PubChem CID57236640
Molecular FormulaC13H27O2Si
Molecular Weight243.44 g/mol
Exact Mass243.18
IUPAC Name—
SMILESCCCOC(OCC[Si](C)C)=C(CC)CC
InChIInChI=1S/C13H27O2Si/c1-6-9-14-13(12(7-2)8-3)15-10-11-16(4)5/h6-11H2,1-5H3
InChIKeyRRZPUIDGGOARKJ-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57236640?
The IUPAC name of CID 57236640 (CID 57236640) is not available.
What is the SMILES notation for CID 57236640?
The canonical SMILES for CID 57236640 is CCCOC(OCC[Si](C)C)=C(CC)CC.
What is the InChIKey of CID 57236640?
The InChIKey is RRZPUIDGGOARKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2Si/c1-6-9-14-13(12(7-2)8-3)15-10-11-16(4)5/h6-11H2,1-5H3.
What are the key properties of CID 57236640?
CID 57236640 has a molecular weight of 243.44 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57236640 is sourced from PubChem (CID 57236640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).