bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium

C10H22Br2O6P+ — CID 21493300

IUPACbromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium
SMILESCCBr.CCOCC(O)(OCC)O[P+](=O)OCCBr
InChIInChI=1S/C8H17BrO6P.C2H5Br/c1-3-12-7-8(10,13-4-2)15-16(11)14-6-5-9;1-2-3/h10H,3-7H2,1-2H3;2H2,1H3/q+1;
InChIKeyHYFDVRIFOQHZGS-UHFFFAOYSA-N
MW429.06 g/mol
LogP3.19
Rot. Bonds10

About bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium

bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium (PubChem CID 21493300) has the molecular formula C10H22Br2O6P+ and a molecular weight of 429.06 g/mol. Its IUPAC name is bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namebromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium
PubChem CID21493300
Molecular FormulaC10H22Br2O6P+
Molecular Weight429.06 g/mol
Exact Mass426.95
IUPAC Namebromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium
SMILESCCBr.CCOCC(O)(OCC)O[P+](=O)OCCBr
InChIInChI=1S/C8H17BrO6P.C2H5Br/c1-3-12-7-8(10,13-4-2)15-16(11)14-6-5-9;1-2-3/h10H,3-7H2,1-2H3;2H2,1H3/q+1;
InChIKeyHYFDVRIFOQHZGS-UHFFFAOYSA-N
XLogP3.19
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.06
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-bromoethoxy)-oxophosphanium
CID 13366419
1,2-diethoxy-1-prop-2-enoxyethanol
CID 155338451
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
CID 121257772
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
1,1,2-tributoxyethanol
CID 3022905
1-(dimethylamino)-1,2-diethoxyethanol
CID 87239515
2,3-diethoxy-2-hydroxypropanenitrile
CID 88744679
chloroethane;2-chloroethoxy-(1-hydroxy-1,2,2-tripropoxypropoxy)-oxophosphanium
CID 21493302
1-bromo-2-(ethoxymethoxy)ethane
CID 46942229
ethyl 2,2,3-triethoxypropanoate
CID 175005029
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553

Frequently Asked Questions

What is the IUPAC name of bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium?
The IUPAC name of bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium (CID 21493300) is bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium.
What is the SMILES notation for bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium?
The canonical SMILES for bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium is CCBr.CCOCC(O)(OCC)O[P+](=O)OCCBr.
What is the InChIKey of bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium?
The InChIKey is HYFDVRIFOQHZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO6P.C2H5Br/c1-3-12-7-8(10,13-4-2)15-16(11)14-6-5-9;1-2-3/h10H,3-7H2,1-2H3;2H2,1H3/q+1;.
What are the key properties of bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium?
bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium has a molecular weight of 429.06 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;2-bromoethoxy-(1,2-diethoxy-1-hydroxyethoxy)-oxophosphanium is sourced from PubChem (CID 21493300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).