CID 67809709

C12H19O4Si — CID 67809709

IUPAC—
SMILESCCCCc1cc(O)c(CO[Si](C)C)c(=O)o1
InChIInChI=1S/C12H19O4Si/c1-4-5-6-9-7-11(13)10(12(14)16-9)8-15-17(2)3/h7,13H,4-6,8H2,1-3H3
InChIKeyDVGNVTQNCWUSBK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.46
Rot. Bonds6

About CID 67809709

CID 67809709 (PubChem CID 67809709) has the molecular formula C12H19O4Si and a molecular weight of 255.37 g/mol.

Molecular Properties

Compound NameCID 67809709
PubChem CID67809709
Molecular FormulaC12H19O4Si
Molecular Weight255.37 g/mol
Exact Mass255.11
IUPAC Name—
SMILESCCCCc1cc(O)c(CO[Si](C)C)c(=O)o1
InChIInChI=1S/C12H19O4Si/c1-4-5-6-9-7-11(13)10(12(14)16-9)8-15-17(2)3/h7,13H,4-6,8H2,1-3H3
InChIKeyDVGNVTQNCWUSBK-UHFFFAOYSA-N
XLogP2.46
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.46
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 67809709?
The IUPAC name of CID 67809709 (CID 67809709) is not available.
What is the SMILES notation for CID 67809709?
The canonical SMILES for CID 67809709 is CCCCc1cc(O)c(CO[Si](C)C)c(=O)o1.
What is the InChIKey of CID 67809709?
The InChIKey is DVGNVTQNCWUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O4Si/c1-4-5-6-9-7-11(13)10(12(14)16-9)8-15-17(2)3/h7,13H,4-6,8H2,1-3H3.
What are the key properties of CID 67809709?
CID 67809709 has a molecular weight of 255.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67809709 is sourced from PubChem (CID 67809709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).