CID 54074975

C21H31ClFOSi — CID 54074975

IUPAC—
SMILESCOCCC[Si]1CCC(C2CCC(c3ccc(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C21H31ClFOSi/c1-24-11-2-12-25-13-9-18(10-14-25)16-3-5-17(6-4-16)19-7-8-20(22)21(23)15-19/h7-8,15-18H,2-6,9-14H2,1H3
InChIKeyMFSFOTQSIXTPOD-UHFFFAOYSA-N
MW382.02 g/mol
LogP6.69
Rot. Bonds6

About CID 54074975

CID 54074975 (PubChem CID 54074975) has the molecular formula C21H31ClFOSi and a molecular weight of 382.02 g/mol.

Molecular Properties

Compound NameCID 54074975
PubChem CID54074975
Molecular FormulaC21H31ClFOSi
Molecular Weight382.02 g/mol
Exact Mass381.18
IUPAC Name—
SMILESCOCCC[Si]1CCC(C2CCC(c3ccc(Cl)c(F)c3)CC2)CC1
InChIInChI=1S/C21H31ClFOSi/c1-24-11-2-12-25-13-9-18(10-14-25)16-3-5-17(6-4-16)19-7-8-20(22)21(23)15-19/h7-8,15-18H,2-6,9-14H2,1H3
InChIKeyMFSFOTQSIXTPOD-UHFFFAOYSA-N
XLogP6.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.02
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54074975?
The IUPAC name of CID 54074975 (CID 54074975) is not available.
What is the SMILES notation for CID 54074975?
The canonical SMILES for CID 54074975 is COCCC[Si]1CCC(C2CCC(c3ccc(Cl)c(F)c3)CC2)CC1.
What is the InChIKey of CID 54074975?
The InChIKey is MFSFOTQSIXTPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClFOSi/c1-24-11-2-12-25-13-9-18(10-14-25)16-3-5-17(6-4-16)19-7-8-20(22)21(23)15-19/h7-8,15-18H,2-6,9-14H2,1H3.
What are the key properties of CID 54074975?
CID 54074975 has a molecular weight of 382.02 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54074975 is sourced from PubChem (CID 54074975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).