butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane

C15H34P2 — CID 174916557

IUPACbutyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane
SMILESCCCCPC(P)(CCCC)C(C)CCCC
InChIInChI=1S/C15H34P2/c1-5-8-11-14(4)15(16,12-9-6-2)17-13-10-7-3/h14,17H,5-13,16H2,1-4H3
InChIKeyDIDGSBFWDLEBHI-UHFFFAOYSA-N
MW276.38 g/mol
LogP6.05
Rot. Bonds11

About butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane

butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane (PubChem CID 174916557) has the molecular formula C15H34P2 and a molecular weight of 276.38 g/mol. Its IUPAC name is butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane.

Molecular Properties

Compound Namebutyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane
PubChem CID174916557
Molecular FormulaC15H34P2
Molecular Weight276.38 g/mol
Exact Mass276.21
IUPAC Namebutyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane
SMILESCCCCPC(P)(CCCC)C(C)CCCC
InChIInChI=1S/C15H34P2/c1-5-8-11-14(4)15(16,12-9-6-2)17-13-10-7-3/h14,17H,5-13,16H2,1-4H3
InChIKeyDIDGSBFWDLEBHI-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 56.05
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

(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
decyl(5,6-dibutyldocosan-5-yl)phosphane
CID 87948674
(10-methyl-9-octyloctadecan-9-yl)phosphane;hydrobromide
CID 173157963
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
CID 173417592
9-butyl-10-methyloctadecan-9-ol
CID 173066845
2,3-dimethylnonan-2-ylphosphane;hydroiodide
CID 173158055
13-decyl-11-methyl-12-nonyl-12-octyl-13-undecylpentacosane
CID 141153698
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800
5,5-dimethoxy-6-methyltetradecane
CID 150194841
4-methyldodecane-3,3-diol
CID 152575890
3-ethyl-4-methyldodecan-3-ol
CID 173066950
N-tert-butyl-2,3-dimethylheptan-2-amine
CID 134186081

Frequently Asked Questions

What is the IUPAC name of butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane?
The IUPAC name of butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane (CID 174916557) is butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane.
What is the SMILES notation for butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane?
The canonical SMILES for butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane is CCCCPC(P)(CCCC)C(C)CCCC.
What is the InChIKey of butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane?
The InChIKey is DIDGSBFWDLEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34P2/c1-5-8-11-14(4)15(16,12-9-6-2)17-13-10-7-3/h14,17H,5-13,16H2,1-4H3.
What are the key properties of butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane?
butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane has a molecular weight of 276.38 g/mol, XLogP of 6.05, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(1-butyl-2-methyl-1-phosphanylhexyl)phosphane is sourced from PubChem (CID 174916557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).