(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane

C14H30Cl2P2 — CID 21297157

IUPAC(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane
SMILESCCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC
InChIInChI=1S/C14H30Cl2P2/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5/h13H,6-12H2,1-5H3
InChIKeyDHNRCNHWMYBXTJ-UHFFFAOYSA-N
MW331.25 g/mol
LogP6.72
Rot. Bonds10

About (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane

(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane (PubChem CID 21297157) has the molecular formula C14H30Cl2P2 and a molecular weight of 331.25 g/mol. Its IUPAC name is (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane.

Molecular Properties

Compound Name(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane
PubChem CID21297157
Molecular FormulaC14H30Cl2P2
Molecular Weight331.25 g/mol
Exact Mass330.12
IUPAC Name(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane
SMILESCCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC
InChIInChI=1S/C14H30Cl2P2/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5/h13H,6-12H2,1-5H3
InChIKeyDHNRCNHWMYBXTJ-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 56.72
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'}

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Related Compounds

(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane;1-diethylphosphanylhexan-2-yl(diethyl)phosphane;gold
CID 173386241
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
diethyl(octan-4-yl)phosphane
CID 150705111
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
tetrabutylphosphanium;tin(4+)
CID 160650774
ethyl-di(octan-4-yl)phosphane
CID 22497528
di(cyclobutyl)-[1-di(cyclobutyl)phosphanylpentyl]phosphane
CID 90109069
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1,1-dichloro-1-fluoro-2-methylhexane
CID 173319055
2-chloro-3-ethyl-2-methylheptane
CID 141208623

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane?
The IUPAC name of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane (CID 21297157) is (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane.
What is the SMILES notation for (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane?
The canonical SMILES for (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane is CCCCC(P(CC)CC)C(Cl)(Cl)P(CC)CC.
What is the InChIKey of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane?
The InChIKey is DHNRCNHWMYBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30Cl2P2/c1-6-11-12-13(17(7-2)8-3)14(15,16)18(9-4)10-5/h13H,6-12H2,1-5H3.
What are the key properties of (1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane?
(1,1-dichloro-1-diethylphosphanylhexan-2-yl)-diethylphosphane has a molecular weight of 331.25 g/mol, XLogP of 6.72, 10 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 is sourced from PubChem (CID 21297157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).