1,1,1-trichlorononan-3-ylselanylbenzene

C15H21Cl3Se — CID 10872760

IUPAC1,1,1-trichlorononan-3-ylselanylbenzene
SMILESCCCCCCC(CC(Cl)(Cl)Cl)[Se]c1ccccc1
InChIInChI=1S/C15H21Cl3Se/c1-2-3-4-6-11-14(12-15(16,17)18)19-13-9-7-5-8-10-13/h5,7-10,14H,2-4,6,11-12H2,1H3
InChIKeyRGCUGAIGQAGJPI-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.54
Rot. Bonds8

About 1,1,1-trichlorononan-3-ylselanylbenzene

1,1,1-trichlorononan-3-ylselanylbenzene (PubChem CID 10872760) has the molecular formula C15H21Cl3Se and a molecular weight of 386.65 g/mol. Its IUPAC name is 1,1,1-trichlorononan-3-ylselanylbenzene.

Molecular Properties

Compound Name1,1,1-trichlorononan-3-ylselanylbenzene
PubChem CID10872760
Molecular FormulaC15H21Cl3Se
Molecular Weight386.65 g/mol
Exact Mass385.99
IUPAC Name1,1,1-trichlorononan-3-ylselanylbenzene
SMILESCCCCCCC(CC(Cl)(Cl)Cl)[Se]c1ccccc1
InChIInChI=1S/C15H21Cl3Se/c1-2-3-4-6-11-14(12-15(16,17)18)19-13-9-7-5-8-10-13/h5,7-10,14H,2-4,6,11-12H2,1H3
InChIKeyRGCUGAIGQAGJPI-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
(1,1-dichloro-2-ethenyldecyl)benzene
CID 150575050
10-chloro-9-phenylselanyloctadecanoic acid
CID 102427331
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(2S)-1-phenylselanyloctan-2-ol
CID 71415328
octan-2-yl 2-phenylselanylpropanoate
CID 615469
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
1,1,1,2,3-pentachlorodecan-2-ylbenzene
CID 150798640

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichlorononan-3-ylselanylbenzene?
The IUPAC name of 1,1,1-trichlorononan-3-ylselanylbenzene (CID 10872760) is 1,1,1-trichlorononan-3-ylselanylbenzene.
What is the SMILES notation for 1,1,1-trichlorononan-3-ylselanylbenzene?
The canonical SMILES for 1,1,1-trichlorononan-3-ylselanylbenzene is CCCCCCC(CC(Cl)(Cl)Cl)[Se]c1ccccc1.
What is the InChIKey of 1,1,1-trichlorononan-3-ylselanylbenzene?
The InChIKey is RGCUGAIGQAGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3Se/c1-2-3-4-6-11-14(12-15(16,17)18)19-13-9-7-5-8-10-13/h5,7-10,14H,2-4,6,11-12H2,1H3.
What are the key properties of 1,1,1-trichlorononan-3-ylselanylbenzene?
1,1,1-trichlorononan-3-ylselanylbenzene has a molecular weight of 386.65 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichlorononan-3-ylselanylbenzene is sourced from PubChem (CID 10872760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).