1-dihexylphosphanylhexyl(dihexyl)phosphane

C30H64P2 — CID 90112069

IUPAC1-dihexylphosphanylhexyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)C(CCCCC)P(CCCCCC)CCCCCC
InChIInChI=1S/C30H64P2/c1-6-11-16-21-26-31(27-22-17-12-7-2)30(25-20-15-10-5)32(28-23-18-13-8-3)29-24-19-14-9-4/h30H,6-29H2,1-5H3
InChIKeyRHTGRLLWAUQTPD-UHFFFAOYSA-N
MW486.79 g/mol
LogP12.18
Rot. Bonds26

About 1-dihexylphosphanylhexyl(dihexyl)phosphane

1-dihexylphosphanylhexyl(dihexyl)phosphane (PubChem CID 90112069) has the molecular formula C30H64P2 and a molecular weight of 486.79 g/mol. Its IUPAC name is 1-dihexylphosphanylhexyl(dihexyl)phosphane.

Molecular Properties

Compound Name1-dihexylphosphanylhexyl(dihexyl)phosphane
PubChem CID90112069
Molecular FormulaC30H64P2
Molecular Weight486.79 g/mol
Exact Mass486.45
IUPAC Name1-dihexylphosphanylhexyl(dihexyl)phosphane
SMILESCCCCCCP(CCCCCC)C(CCCCC)P(CCCCCC)CCCCCC
InChIInChI=1S/C30H64P2/c1-6-11-16-21-26-31(27-22-17-12-7-2)30(25-20-15-10-5)32(28-23-18-13-8-3)29-24-19-14-9-4/h30H,6-29H2,1-5H3
InChIKeyRHTGRLLWAUQTPD-UHFFFAOYSA-N
XLogP12.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
dioctyl(tetracosan-8-yl)phosphane
CID 159416945
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
dodecan-5-yl(dioctyl)phosphane
CID 172795592
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
dihexyl(nonan-4-yl)phosphane
CID 172773657
decan-3-yl(dioctyl)phosphane
CID 150488617
diheptyl(propan-2-yl)phosphane
CID 22497662
diheptyl(pentan-3-yl)phosphane
CID 87508325
heptyl(dimethyl)phosphane
CID 18386855

Frequently Asked Questions

What is the IUPAC name of 1-dihexylphosphanylhexyl(dihexyl)phosphane?
The IUPAC name of 1-dihexylphosphanylhexyl(dihexyl)phosphane (CID 90112069) is 1-dihexylphosphanylhexyl(dihexyl)phosphane.
What is the SMILES notation for 1-dihexylphosphanylhexyl(dihexyl)phosphane?
The canonical SMILES for 1-dihexylphosphanylhexyl(dihexyl)phosphane is CCCCCCP(CCCCCC)C(CCCCC)P(CCCCCC)CCCCCC.
What is the InChIKey of 1-dihexylphosphanylhexyl(dihexyl)phosphane?
The InChIKey is RHTGRLLWAUQTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64P2/c1-6-11-16-21-26-31(27-22-17-12-7-2)30(25-20-15-10-5)32(28-23-18-13-8-3)29-24-19-14-9-4/h30H,6-29H2,1-5H3.
What are the key properties of 1-dihexylphosphanylhexyl(dihexyl)phosphane?
1-dihexylphosphanylhexyl(dihexyl)phosphane has a molecular weight of 486.79 g/mol, XLogP of 12.18, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dihexylphosphanylhexyl(dihexyl)phosphane is sourced from PubChem (CID 90112069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).