anthracene-9-carboxylic acid;trichloro(ethyl)silane

C17H15Cl3O2Si — CID 87654089

IUPACanthracene-9-carboxylic acid;trichloro(ethyl)silane
SMILESCC[Si](Cl)(Cl)Cl.O=C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10O2.C2H5Cl3Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-6(3,4)5/h1-9H,(H,16,17);2H2,1H3
InChIKeyKEUDBGPXUJAMTB-UHFFFAOYSA-N
MW385.75 g/mol
LogP6.35
Rot. Bonds2

About anthracene-9-carboxylic acid;trichloro(ethyl)silane

anthracene-9-carboxylic acid;trichloro(ethyl)silane (PubChem CID 87654089) has the molecular formula C17H15Cl3O2Si and a molecular weight of 385.75 g/mol. Its IUPAC name is anthracene-9-carboxylic acid;trichloro(ethyl)silane.

Molecular Properties

Compound Nameanthracene-9-carboxylic acid;trichloro(ethyl)silane
PubChem CID87654089
Molecular FormulaC17H15Cl3O2Si
Molecular Weight385.75 g/mol
Exact Mass383.99
IUPAC Nameanthracene-9-carboxylic acid;trichloro(ethyl)silane
SMILESCC[Si](Cl)(Cl)Cl.O=C(O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H10O2.C2H5Cl3Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-6(3,4)5/h1-9H,(H,16,17);2H2,1H3
InChIKeyKEUDBGPXUJAMTB-UHFFFAOYSA-N
XLogP6.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.75
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9-carboxylic acid;trichloro(ethyl)silane?
The IUPAC name of anthracene-9-carboxylic acid;trichloro(ethyl)silane (CID 87654089) is anthracene-9-carboxylic acid;trichloro(ethyl)silane.
What is the SMILES notation for anthracene-9-carboxylic acid;trichloro(ethyl)silane?
The canonical SMILES for anthracene-9-carboxylic acid;trichloro(ethyl)silane is CC[Si](Cl)(Cl)Cl.O=C(O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracene-9-carboxylic acid;trichloro(ethyl)silane?
The InChIKey is KEUDBGPXUJAMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.C2H5Cl3Si/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;1-2-6(3,4)5/h1-9H,(H,16,17);2H2,1H3.
What are the key properties of anthracene-9-carboxylic acid;trichloro(ethyl)silane?
anthracene-9-carboxylic acid;trichloro(ethyl)silane has a molecular weight of 385.75 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9-carboxylic acid;trichloro(ethyl)silane is sourced from PubChem (CID 87654089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).