dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride

C24H40BrClO2P2 — CID 174049366

IUPACdimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride
SMILESBr.CCCCC(Oc1ccccc1)P(C)C.CCCCC(P)Oc1ccccc1.Cl
InChIInChI=1S/C13H21OP.C11H17OP.BrH.ClH/c1-4-5-11-13(15(2)3)14-12-9-7-6-8-10-12;1-2-3-9-11(13)12-10-7-5-4-6-8-10;;/h6-10,13H,4-5,11H2,1-3H3;4-8,11H,2-3,9,13H2,1H3;2*1H
InChIKeyDKCCNZMLUYVKSK-UHFFFAOYSA-N
MW537.89 g/mol
LogP8.78
Rot. Bonds11

About dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride

dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride (PubChem CID 174049366) has the molecular formula C24H40BrClO2P2 and a molecular weight of 537.89 g/mol. Its IUPAC name is dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride.

Molecular Properties

Compound Namedimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride
PubChem CID174049366
Molecular FormulaC24H40BrClO2P2
Molecular Weight537.89 g/mol
Exact Mass536.14
IUPAC Namedimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride
SMILESBr.CCCCC(Oc1ccccc1)P(C)C.CCCCC(P)Oc1ccccc1.Cl
InChIInChI=1S/C13H21OP.C11H17OP.BrH.ClH/c1-4-5-11-13(15(2)3)14-12-9-7-6-8-10-12;1-2-3-9-11(13)12-10-7-5-4-6-8-10;;/h6-10,13H,4-5,11H2,1-3H3;4-8,11H,2-3,9,13H2,1H3;2*1H
InChIKeyDKCCNZMLUYVKSK-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.89
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopenta-2,4-dien-1-ylpentoxybenzene
CID 11986274
1-phenoxypentan-1-amine
CID 68557687
(1R)-1-phenoxypentane-1-thiol
CID 134536551
tributyl(phenoxy)phosphanium
CID 23415293
dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride
CID 174051701
undecan-6-yloxybenzene
CID 130316504
tetracosan-8-yloxybenzene
CID 154135377
1-methoxydecoxybenzene
CID 24977925
(2R)-2-phenoxyhexanoic acid
CID 71401043
N,N-diethyl-1-phenoxypentan-1-amine
CID 174914149
decan-2-yloxybenzene
CID 12838331
2-(hydroxymethyl)-2-(1-phenoxynonyl)propane-1,3-diol
CID 70520234

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride?
The IUPAC name of dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride (CID 174049366) is dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride.
What is the SMILES notation for dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride?
The canonical SMILES for dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride is Br.CCCCC(Oc1ccccc1)P(C)C.CCCCC(P)Oc1ccccc1.Cl.
What is the InChIKey of dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride?
The InChIKey is DKCCNZMLUYVKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21OP.C11H17OP.BrH.ClH/c1-4-5-11-13(15(2)3)14-12-9-7-6-8-10-12;1-2-3-9-11(13)12-10-7-5-4-6-8-10;;/h6-10,13H,4-5,11H2,1-3H3;4-8,11H,2-3,9,13H2,1H3;2*1H.
What are the key properties of dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride?
dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride has a molecular weight of 537.89 g/mol, XLogP of 8.78, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-phenoxypentyl)phosphane;1-phenoxypentylphosphane;hydrobromide;hydrochloride is sourced from PubChem (CID 174049366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).