decyl(5,6-dibutyldocosan-5-yl)phosphane

C40H83P — CID 87948674

IUPACdecyl(5,6-dibutyldocosan-5-yl)phosphane
SMILESCCCCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)PCCCCCCCCCC
InChIInChI=1S/C40H83P/c1-6-11-16-18-20-22-23-24-25-26-27-28-30-32-35-39(34-13-8-3)40(36-14-9-4,37-15-10-5)41-38-33-31-29-21-19-17-12-7-2/h39,41H,6-38H2,1-5H3
InChIKeyZKIVKWJZHAWELK-UHFFFAOYSA-N
MW595.08 g/mol
LogP15.60
Rot. Bonds35

About decyl(5,6-dibutyldocosan-5-yl)phosphane

decyl(5,6-dibutyldocosan-5-yl)phosphane (PubChem CID 87948674) has the molecular formula C40H83P and a molecular weight of 595.08 g/mol. Its IUPAC name is decyl(5,6-dibutyldocosan-5-yl)phosphane.

Molecular Properties

Compound Namedecyl(5,6-dibutyldocosan-5-yl)phosphane
PubChem CID87948674
Molecular FormulaC40H83P
Molecular Weight595.08 g/mol
Exact Mass594.62
IUPAC Namedecyl(5,6-dibutyldocosan-5-yl)phosphane
SMILESCCCCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)PCCCCCCCCCC
InChIInChI=1S/C40H83P/c1-6-11-16-18-20-22-23-24-25-26-27-28-30-32-35-39(34-13-8-3)40(36-14-9-4,37-15-10-5)41-38-33-31-29-21-19-17-12-7-2/h39,41H,6-38H2,1-5H3
InChIKeyZKIVKWJZHAWELK-UHFFFAOYSA-N
XLogP15.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds35
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.08
LogP ≤ 515.60
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

5,6-dibutyldodecan-5-ol
CID 91807952
5,6-dibutyloctadecan-5-ylphosphanium chloride
CID 3019009
5,6-dibutylicosan-5-ylazanium bromide
CID 3014489
5,6-dibutyldocosan-5-amine;hydrobromide
CID 173159826
5,6-dibutylicosan-5-amine;hydroiodide
CID 173158305
5,6-dibutylhexadecan-5-amine;hydroiodide
CID 173158056
5,5-dibutyl-6-propyltetradecane
CID 151501472
2,3-dibutyl-2-octyldecanoic acid
CID 87603742
5,6-dibutyldodecan-5-yl(trioctyl)phosphanium
CID 118674362
20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
2,3-dibutyl-2-ethyldodecanoic acid
CID 91044194
9-butyl-10-pentyloctadecan-9-ol
CID 90871150

Frequently Asked Questions

What is the IUPAC name of decyl(5,6-dibutyldocosan-5-yl)phosphane?
The IUPAC name of decyl(5,6-dibutyldocosan-5-yl)phosphane (CID 87948674) is decyl(5,6-dibutyldocosan-5-yl)phosphane.
What is the SMILES notation for decyl(5,6-dibutyldocosan-5-yl)phosphane?
The canonical SMILES for decyl(5,6-dibutyldocosan-5-yl)phosphane is CCCCCCCCCCCCCCCCC(CCCC)C(CCCC)(CCCC)PCCCCCCCCCC.
What is the InChIKey of decyl(5,6-dibutyldocosan-5-yl)phosphane?
The InChIKey is ZKIVKWJZHAWELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H83P/c1-6-11-16-18-20-22-23-24-25-26-27-28-30-32-35-39(34-13-8-3)40(36-14-9-4,37-15-10-5)41-38-33-31-29-21-19-17-12-7-2/h39,41H,6-38H2,1-5H3.
What are the key properties of decyl(5,6-dibutyldocosan-5-yl)phosphane?
decyl(5,6-dibutyldocosan-5-yl)phosphane has a molecular weight of 595.08 g/mol, XLogP of 15.60, 35 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(5,6-dibutyldocosan-5-yl)phosphane is sourced from PubChem (CID 87948674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).