bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane

C18H31Br2P — CID 142518223

IUPACbromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane
SMILESCP(C)(Br)(CCCCCCCCCCBr)c1ccccc1
InChIInChI=1S/C18H31Br2P/c1-21(2,20,18-14-10-9-11-15-18)17-13-8-6-4-3-5-7-12-16-19/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyALQSGTAGNVHAOP-UHFFFAOYSA-N
MW438.23 g/mol
LogP6.95
Rot. Bonds11

About bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane

bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane (PubChem CID 142518223) has the molecular formula C18H31Br2P and a molecular weight of 438.23 g/mol. Its IUPAC name is bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane
PubChem CID142518223
Molecular FormulaC18H31Br2P
Molecular Weight438.23 g/mol
Exact Mass436.05
IUPAC Namebromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane
SMILESCP(C)(Br)(CCCCCCCCCCBr)c1ccccc1
InChIInChI=1S/C18H31Br2P/c1-21(2,20,18-14-10-9-11-15-18)17-13-8-6-4-3-5-7-12-16-19/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyALQSGTAGNVHAOP-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.23
LogP ≤ 56.95
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
bromo-(9-bromonon-2-enyl)-triphenyl-λ5-phosphane
CID 171472149
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
bromo-methyl-triphenyl-λ5-phosphane;hydrobromide
CID 173269490
10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
dibromo-butyl-diphenyl-λ5-phosphane
CID 134984074
(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
CID 90132778
bromo-[2-(bromomethyl)phenyl]-methyl-diphenyl-λ5-phosphane
CID 135051319
13-bromotridec-2-enyl-chloro-triphenyl-λ5-phosphane
CID 171472228
benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903

Frequently Asked Questions

What is the IUPAC name of bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane?
The IUPAC name of bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane (CID 142518223) is bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane.
What is the SMILES notation for bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane?
The canonical SMILES for bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane is CP(C)(Br)(CCCCCCCCCCBr)c1ccccc1.
What is the InChIKey of bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane?
The InChIKey is ALQSGTAGNVHAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31Br2P/c1-21(2,20,18-14-10-9-11-15-18)17-13-8-6-4-3-5-7-12-16-19/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane?
bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane has a molecular weight of 438.23 g/mol, XLogP of 6.95, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(10-bromodecyl)-dimethyl-phenyl-λ5-phosphane is sourced from PubChem (CID 142518223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).