2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane

C22H41O3P — CID 57189480

IUPAC2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane
SMILESCCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)cc1
InChIInChI=1S/C22H41O3P/c1-4-7-9-10-11-12-14-21-15-17-22(18-16-21)26(23,24,25)19-20(6-3)13-8-5-2/h15-18,20,23-25H,4-14,19H2,1-3H3
InChIKeyMGJSNFOSICCEFF-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.71
Rot. Bonds14

About 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane

2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane (PubChem CID 57189480) has the molecular formula C22H41O3P and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane.

Molecular Properties

Compound Name2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane
PubChem CID57189480
Molecular FormulaC22H41O3P
Molecular Weight384.54 g/mol
Exact Mass384.28
IUPAC Name2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane
SMILESCCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)cc1
InChIInChI=1S/C22H41O3P/c1-4-7-9-10-11-12-14-21-15-17-22(18-16-21)26(23,24,25)19-20(6-3)13-8-5-2/h15-18,20,23-25H,4-14,19H2,1-3H3
InChIKeyMGJSNFOSICCEFF-UHFFFAOYSA-N
XLogP5.71
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane
CID 118126828
1-(6-ethyloctyl)-4-octylbenzene
CID 142518839
bis(4-hexylphenyl)-trihydroxy-λ5-phosphane
CID 57133783
1-butyl-4-nonylbenzene
CID 59545302
1-[bis(2-ethylhexoxy)phosphoryl]-4-nonylbenzene;neodymium
CID 156502720
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
1-[2-ethylhexyl-(4-nonylphenoxy)phosphoryl]oxy-4-nonylbenzene
CID 87276714
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
bis(4-tridecylphenyl)methanol
CID 139673626

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane?
The IUPAC name of 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane (CID 57189480) is 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane.
What is the SMILES notation for 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane?
The canonical SMILES for 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane is CCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)cc1.
What is the InChIKey of 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane?
The InChIKey is MGJSNFOSICCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41O3P/c1-4-7-9-10-11-12-14-21-15-17-22(18-16-21)26(23,24,25)19-20(6-3)13-8-5-2/h15-18,20,23-25H,4-14,19H2,1-3H3.
What are the key properties of 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane?
2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane has a molecular weight of 384.54 g/mol, XLogP of 5.71, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane is sourced from PubChem (CID 57189480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).