butyl(heptadecyl)phosphane

C21H45P — CID 146521828

IUPACbutyl(heptadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCCPCCCC
InChIInChI=1S/C21H45P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h22H,3-21H2,1-2H3
InChIKeyFSWWKWAGLHAGMF-UHFFFAOYSA-N
MW328.57 g/mol
LogP8.34
Rot. Bonds19

About butyl(heptadecyl)phosphane

butyl(heptadecyl)phosphane (PubChem CID 146521828) has the molecular formula C21H45P and a molecular weight of 328.57 g/mol. Its IUPAC name is butyl(heptadecyl)phosphane.

Molecular Properties

Compound Namebutyl(heptadecyl)phosphane
PubChem CID146521828
Molecular FormulaC21H45P
Molecular Weight328.57 g/mol
Exact Mass328.33
IUPAC Namebutyl(heptadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCCPCCCC
InChIInChI=1S/C21H45P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h22H,3-21H2,1-2H3
InChIKeyFSWWKWAGLHAGMF-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 58.34
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

decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
di(nonyl)phosphane;hydrochloride
CID 175813490
dipentylphosphane
CID 11105867
hexadecyl(propyl)phosphane
CID 158670728
butyl(propyl)phosphane;methane
CID 158586194
octyl(pentylphosphanyl)phosphane
CID 21095189
docosyl(docosylphosphanyl)phosphane
CID 21095052
sodium;butanedioic acid;dioctylphosphane;hydride
CID 175055356
methyl(tetradecyl)phosphane
CID 88708624
decylphosphanylmethylboronic acid
CID 150889550

Frequently Asked Questions

What is the IUPAC name of butyl(heptadecyl)phosphane?
The IUPAC name of butyl(heptadecyl)phosphane (CID 146521828) is butyl(heptadecyl)phosphane.
What is the SMILES notation for butyl(heptadecyl)phosphane?
The canonical SMILES for butyl(heptadecyl)phosphane is CCCCCCCCCCCCCCCCCPCCCC.
What is the InChIKey of butyl(heptadecyl)phosphane?
The InChIKey is FSWWKWAGLHAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-6-4-2/h22H,3-21H2,1-2H3.
What are the key properties of butyl(heptadecyl)phosphane?
butyl(heptadecyl)phosphane has a molecular weight of 328.57 g/mol, XLogP of 8.34, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(heptadecyl)phosphane is sourced from PubChem (CID 146521828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).