CID 19843901

C14H18O5Si — CID 19843901

IUPAC—
SMILESC1CC[Si]OC1.COC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O4.C4H8OSi/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H2
InChIKeyKVAODCFOLHTUNZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.09
Rot. Bonds2

About CID 19843901

CID 19843901 (PubChem CID 19843901) has the molecular formula C14H18O5Si and a molecular weight of 294.38 g/mol.

Molecular Properties

Compound NameCID 19843901
PubChem CID19843901
Molecular FormulaC14H18O5Si
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name—
SMILESC1CC[Si]OC1.COC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O4.C4H8OSi/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H2
InChIKeyKVAODCFOLHTUNZ-UHFFFAOYSA-N
XLogP2.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 19843901?
The IUPAC name of CID 19843901 (CID 19843901) is not available.
What is the SMILES notation for CID 19843901?
The canonical SMILES for CID 19843901 is C1CC[Si]OC1.COC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of CID 19843901?
The InChIKey is KVAODCFOLHTUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.C4H8OSi/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;1-2-4-6-5-3-1/h3-6H,1-2H3;1-4H2.
What are the key properties of CID 19843901?
CID 19843901 has a molecular weight of 294.38 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19843901 is sourced from PubChem (CID 19843901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).