CID 18719573

C13H21O3Si2 — CID 18719573

IUPAC—
SMILESC=C[Si](C)O[Si](C)(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H21O3Si2/c1-6-17(3)16-18(4,5)10-11-7-8-12(14)13(9-11)15-2/h6-9,14H,1,10H2,2-5H3
InChIKeyWJDWLDQSHUOTOS-UHFFFAOYSA-N
MW281.48 g/mol
LogP3.05
Rot. Bonds6

About CID 18719573

CID 18719573 (PubChem CID 18719573) has the molecular formula C13H21O3Si2 and a molecular weight of 281.48 g/mol.

Molecular Properties

Compound NameCID 18719573
PubChem CID18719573
Molecular FormulaC13H21O3Si2
Molecular Weight281.48 g/mol
Exact Mass281.10
IUPAC Name—
SMILESC=C[Si](C)O[Si](C)(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C13H21O3Si2/c1-6-17(3)16-18(4,5)10-11-7-8-12(14)13(9-11)15-2/h6-9,14H,1,10H2,2-5H3
InChIKeyWJDWLDQSHUOTOS-UHFFFAOYSA-N
XLogP3.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 18719573?
The IUPAC name of CID 18719573 (CID 18719573) is not available.
What is the SMILES notation for CID 18719573?
The canonical SMILES for CID 18719573 is C=C[Si](C)O[Si](C)(C)Cc1ccc(O)c(OC)c1.
What is the InChIKey of CID 18719573?
The InChIKey is WJDWLDQSHUOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3Si2/c1-6-17(3)16-18(4,5)10-11-7-8-12(14)13(9-11)15-2/h6-9,14H,1,10H2,2-5H3.
What are the key properties of CID 18719573?
CID 18719573 has a molecular weight of 281.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18719573 is sourced from PubChem (CID 18719573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).