dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide

C21H38BrP — CID 173074762

IUPACdodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCPC(C)(C)c1ccccc1
InChIInChI=1S/C21H37P.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18,22H,4-12,16,19H2,1-3H3;1H
InChIKeyAUZNIERLUMCKOX-UHFFFAOYSA-N
MW401.41 g/mol
LogP8.10
Rot. Bonds13

About dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide

dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide (PubChem CID 173074762) has the molecular formula C21H38BrP and a molecular weight of 401.41 g/mol. Its IUPAC name is dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide.

Molecular Properties

Compound Namedodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
PubChem CID173074762
Molecular FormulaC21H38BrP
Molecular Weight401.41 g/mol
Exact Mass400.19
IUPAC Namedodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
SMILESBr.CCCCCCCCCCCCPC(C)(C)c1ccccc1
InChIInChI=1S/C21H37P.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18,22H,4-12,16,19H2,1-3H3;1H
InChIKeyAUZNIERLUMCKOX-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 175018663
tert-butylbenzene;hexane
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hexadecyl(2-phenylpropan-2-yl)azanium dichloride
CID 54064066
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
15-phenylnonacosan-15-ylbenzene
CID 141310981
benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
2-phenyldecan-2-amine
CID 63408050
2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
CID 175600544
1-octadecoxy-1-phenylethanol
CID 175437177
5-butylhexadecan-5-ylbenzene
CID 173084700

Frequently Asked Questions

What is the IUPAC name of dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide?
The IUPAC name of dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide (CID 173074762) is dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide.
What is the SMILES notation for dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide?
The canonical SMILES for dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide is Br.CCCCCCCCCCCCPC(C)(C)c1ccccc1.
What is the InChIKey of dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide?
The InChIKey is AUZNIERLUMCKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37P.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22-21(2,3)20-17-14-13-15-18-20;/h13-15,17-18,22H,4-12,16,19H2,1-3H3;1H.
What are the key properties of dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide?
dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide has a molecular weight of 401.41 g/mol, XLogP of 8.10, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide is sourced from PubChem (CID 173074762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).