4,4-dimethyldocosan-5-ylphosphane

C24H51P — CID 87753926

IUPAC4,4-dimethyldocosan-5-ylphosphane
SMILESCCCCCCCCCCCCCCCCCC(P)C(C)(C)CCC
InChIInChI=1S/C24H51P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24(3,4)22-6-2/h23H,5-22,25H2,1-4H3
InChIKeyLBXWBCKWSQRETF-UHFFFAOYSA-N
MW370.65 g/mol
LogP9.32
Rot. Bonds19

About 4,4-dimethyldocosan-5-ylphosphane

4,4-dimethyldocosan-5-ylphosphane (PubChem CID 87753926) has the molecular formula C24H51P and a molecular weight of 370.65 g/mol. Its IUPAC name is 4,4-dimethyldocosan-5-ylphosphane.

Molecular Properties

Compound Name4,4-dimethyldocosan-5-ylphosphane
PubChem CID87753926
Molecular FormulaC24H51P
Molecular Weight370.65 g/mol
Exact Mass370.37
IUPAC Name4,4-dimethyldocosan-5-ylphosphane
SMILESCCCCCCCCCCCCCCCCCC(P)C(C)(C)CCC
InChIInChI=1S/C24H51P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24(3,4)22-6-2/h23H,5-22,25H2,1-4H3
InChIKeyLBXWBCKWSQRETF-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.65
LogP ≤ 59.32
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

4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
4,4-diethylnonan-5-ylphosphane
CID 87508109
11-(2-methylheptan-2-yl)docosane
CID 57252514
5,6-dibutylicosan-5-ylazanium bromide
CID 3014489
heptatriacontan-19-ylphosphane
CID 18405829
nonadecan-10-ylphosphane
CID 175556620
dodecan-6-ylphosphane
CID 88935198
1-phosphanylundecylphosphane
CID 23414194
pentadecan-2-ylphosphane
CID 154118597
heptadecan-2-ylphosphane
CID 154117788
4,4-dimethylnonan-5-amine
CID 87513740
8,9-dibutylhexadecane
CID 530025

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyldocosan-5-ylphosphane?
The IUPAC name of 4,4-dimethyldocosan-5-ylphosphane (CID 87753926) is 4,4-dimethyldocosan-5-ylphosphane.
What is the SMILES notation for 4,4-dimethyldocosan-5-ylphosphane?
The canonical SMILES for 4,4-dimethyldocosan-5-ylphosphane is CCCCCCCCCCCCCCCCCC(P)C(C)(C)CCC.
What is the InChIKey of 4,4-dimethyldocosan-5-ylphosphane?
The InChIKey is LBXWBCKWSQRETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24(3,4)22-6-2/h23H,5-22,25H2,1-4H3.
What are the key properties of 4,4-dimethyldocosan-5-ylphosphane?
4,4-dimethyldocosan-5-ylphosphane has a molecular weight of 370.65 g/mol, XLogP of 9.32, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyldocosan-5-ylphosphane is sourced from PubChem (CID 87753926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).