dibutyl(3-methyltetradecyl)phosphane

C23H49P — CID 174745432

IUPACdibutyl(3-methyltetradecyl)phosphane
SMILESCCCCCCCCCCCC(C)CCP(CCCC)CCCC
InChIInChI=1S/C23H49P/c1-5-8-11-12-13-14-15-16-17-18-23(4)19-22-24(20-9-6-2)21-10-7-3/h23H,5-22H2,1-4H3
InChIKeyIPFKHYLCWJAVPX-UHFFFAOYSA-N
MW356.62 g/mol
LogP9.02
Rot. Bonds19

About dibutyl(3-methyltetradecyl)phosphane

dibutyl(3-methyltetradecyl)phosphane (PubChem CID 174745432) has the molecular formula C23H49P and a molecular weight of 356.62 g/mol. Its IUPAC name is dibutyl(3-methyltetradecyl)phosphane.

Molecular Properties

Compound Namedibutyl(3-methyltetradecyl)phosphane
PubChem CID174745432
Molecular FormulaC23H49P
Molecular Weight356.62 g/mol
Exact Mass356.36
IUPAC Namedibutyl(3-methyltetradecyl)phosphane
SMILESCCCCCCCCCCCC(C)CCP(CCCC)CCCC
InChIInChI=1S/C23H49P/c1-5-8-11-12-13-14-15-16-17-18-23(4)19-22-24(20-9-6-2)21-10-7-3/h23H,5-22H2,1-4H3
InChIKeyIPFKHYLCWJAVPX-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 59.02
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

3-methyltetradecyl(dioctyl)phosphane
CID 174745116
(7R)-7-methyltricosane
CID 162971691
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379

Frequently Asked Questions

What is the IUPAC name of dibutyl(3-methyltetradecyl)phosphane?
The IUPAC name of dibutyl(3-methyltetradecyl)phosphane (CID 174745432) is dibutyl(3-methyltetradecyl)phosphane.
What is the SMILES notation for dibutyl(3-methyltetradecyl)phosphane?
The canonical SMILES for dibutyl(3-methyltetradecyl)phosphane is CCCCCCCCCCCC(C)CCP(CCCC)CCCC.
What is the InChIKey of dibutyl(3-methyltetradecyl)phosphane?
The InChIKey is IPFKHYLCWJAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49P/c1-5-8-11-12-13-14-15-16-17-18-23(4)19-22-24(20-9-6-2)21-10-7-3/h23H,5-22H2,1-4H3.
What are the key properties of dibutyl(3-methyltetradecyl)phosphane?
dibutyl(3-methyltetradecyl)phosphane has a molecular weight of 356.62 g/mol, XLogP of 9.02, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(3-methyltetradecyl)phosphane is sourced from PubChem (CID 174745432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).