butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane

C19H28P2 — CID 90291267

IUPACbutyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane
SMILESCCCCPCc1cccc2cccc(PCCCC)c12
InChIInChI=1S/C19H28P2/c1-3-5-13-20-15-17-11-7-9-16-10-8-12-18(19(16)17)21-14-6-4-2/h7-12,20-21H,3-6,13-15H2,1-2H3
InChIKeyANTDXLBANZCFIA-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.92
Rot. Bonds9

About butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane

butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane (PubChem CID 90291267) has the molecular formula C19H28P2 and a molecular weight of 318.38 g/mol. Its IUPAC name is butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane.

Molecular Properties

Compound Namebutyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane
PubChem CID90291267
Molecular FormulaC19H28P2
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namebutyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane
SMILESCCCCPCc1cccc2cccc(PCCCC)c12
InChIInChI=1S/C19H28P2/c1-3-5-13-20-15-17-11-7-9-16-10-8-12-18(19(16)17)21-14-6-4-2/h7-12,20-21H,3-6,13-15H2,1-2H3
InChIKeyANTDXLBANZCFIA-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.92
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

benzo[a]anthracen-1-yl(propyl)phosphane
CID 90149748
(2-pentylphosphanylphenyl)methanamine
CID 151860169
(2,3-dimethylphenyl)-heptylphosphane
CID 150201663
acridin-1-yl(pentyl)phosphane
CID 174995472
(2-butylphenyl)-naphthalen-1-ylphosphane
CID 150973270
(8-pentylnaphthalen-1-yl)methanol
CID 101074092
benzyl(pentadecyl)phosphane
CID 174798233
1-hexadecylpyrene
CID 12966317
butane;perylene
CID 159762170
N-[8-(diethylaminophosphanyl)naphthalen-1-yl]phosphanyl-N-ethylethanamine
CID 122397570
1-butylnaphthalene;ethane
CID 142087052
1-chloropentane;perylene
CID 174651563

Frequently Asked Questions

What is the IUPAC name of butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane?
The IUPAC name of butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane (CID 90291267) is butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane.
What is the SMILES notation for butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane?
The canonical SMILES for butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane is CCCCPCc1cccc2cccc(PCCCC)c12.
What is the InChIKey of butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane?
The InChIKey is ANTDXLBANZCFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28P2/c1-3-5-13-20-15-17-11-7-9-16-10-8-12-18(19(16)17)21-14-6-4-2/h7-12,20-21H,3-6,13-15H2,1-2H3.
What are the key properties of butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane?
butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane has a molecular weight of 318.38 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[8-(butylphosphanylmethyl)naphthalen-1-yl]phosphane is sourced from PubChem (CID 90291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).