(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold

C28H62Au2Cl2P4 — CID 173386241

IUPAC(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold
SMILESCCCCC(CP(CC)CC)P(CC)CC.CCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC.[Au].[Au]
InChIInChI=1S/C14H30Cl2P2.C14H32P2.2Au/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5;1-6-11-12-14(16(9-4)10-5)13-15(7-2)8-3;;/h13H,6-12H2,1-5H3;14H,6-13H2,1-5H3;;
InChIKeyLZXGQHSCWLOWMQ-UHFFFAOYSA-N
MW987.54 g/mol
LogP12.30
Rot. Bonds20

About (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold

(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold (PubChem CID 173386241) has the molecular formula C28H62Au2Cl2P4 and a molecular weight of 987.54 g/mol. Its IUPAC name is (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold.

Molecular Properties

Compound Name(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold
PubChem CID173386241
Molecular FormulaC28H62Au2Cl2P4
Molecular Weight987.54 g/mol
Exact Mass986.25
IUPAC Name(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold
SMILESCCCCC(CP(CC)CC)P(CC)CC.CCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC.[Au].[Au]
InChIInChI=1S/C14H30Cl2P2.C14H32P2.2Au/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5;1-6-11-12-14(16(9-4)10-5)13-15(7-2)8-3;;/h13H,6-12H2,1-5H3;14H,6-13H2,1-5H3;;
InChIKeyLZXGQHSCWLOWMQ-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.54
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold 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

(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane
CID 21297157
diethyl(octan-4-yl)phosphane
CID 150705111
ethyl-di(octan-4-yl)phosphane
CID 22497528
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
CID 123427716
dodecan-5-yl(dioctyl)phosphane
CID 172795592
methyl-di(octan-4-yl)phosphane
CID 22497740
tetrabutylphosphanium;tin(4+)
CID 160650774
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane
CID 90109069
hexane;2,2,4-trimethyloctane
CID 174278610
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold?
The IUPAC name of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold (CID 173386241) is (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold.
What is the SMILES notation for (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold?
The canonical SMILES for (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold is CCCCC(CP(CC)CC)P(CC)CC.CCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC.[Au].[Au].
What is the InChIKey of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold?
The InChIKey is LZXGQHSCWLOWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Cl2P2.C14H32P2.2Au/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5;1-6-11-12-14(16(9-4)10-5)13-15(7-2)8-3;;/h13H,6-12H2,1-5H3;14H,6-13H2,1-5H3;;.
What are the key properties of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold?
(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold has a molecular weight of 987.54 g/mol, XLogP of 12.30, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold is sourced from PubChem (CID 173386241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).