2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane

C31H59O3P — CID 118126828

IUPAC2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane
SMILESCCCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)c(CC(CC)CCCC)c1
InChIInChI=1S/C31H59O3P/c1-6-11-14-15-16-17-18-21-29-22-23-31(30(25-29)24-27(9-4)19-12-7-2)35(32,33,34)26-28(10-5)20-13-8-3/h22-23,25,27-28,32-34H,6-21,24,26H2,1-5H3
InChIKeyQWMMYFAHSJLBDZ-UHFFFAOYSA-N
MW510.78 g/mol
LogP8.86
Rot. Bonds21

About 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane

2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane (PubChem CID 118126828) has the molecular formula C31H59O3P and a molecular weight of 510.78 g/mol. Its IUPAC name is 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane.

Molecular Properties

Compound Name2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane
PubChem CID118126828
Molecular FormulaC31H59O3P
Molecular Weight510.78 g/mol
Exact Mass510.42
IUPAC Name2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane
SMILESCCCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)c(CC(CC)CCCC)c1
InChIInChI=1S/C31H59O3P/c1-6-11-14-15-16-17-18-21-29-22-23-31(30(25-29)24-27(9-4)19-12-7-2)35(32,33,34)26-28(10-5)20-13-8-3/h22-23,25,27-28,32-34H,6-21,24,26H2,1-5H3
InChIKeyQWMMYFAHSJLBDZ-UHFFFAOYSA-N
XLogP8.86
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.78
LogP ≤ 58.86
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-trihydroxy-(4-octylphenyl)-λ5-phosphane
CID 57189480
[2-(2-ethylhexyl)-4-nonylphenyl] hydrogen carbonate
CID 150283154
bis[2,4-di(nonyl)phenyl]-trihydroxy-λ5-phosphane
CID 57324563
1-(6-ethyloctyl)-4-octylbenzene
CID 142518839
1,2-bis(2-ethylhexyl)-3-nonylbenzene
CID 91541157
1,2,3,4,5,6-hexakis[4-(2-ethylhexyl)phenyl]benzene
CID 131637875
1,2-bis(bromomethyl)-4-decylbenzene
CID 139761482
4-nonyl-2-pentylphenol
CID 86162849
5-[4-[2-ethyl-4-[4-(2-ethylhexyl)phenyl]phenyl]phenyl]pentan-1-ol
CID 118152964
2-ethyl-4-heptylphenol
CID 58289223
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane?
The IUPAC name of 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane (CID 118126828) is 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane.
What is the SMILES notation for 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane?
The canonical SMILES for 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane is CCCCCCCCCc1ccc(P(O)(O)(O)CC(CC)CCCC)c(CC(CC)CCCC)c1.
What is the InChIKey of 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane?
The InChIKey is QWMMYFAHSJLBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H59O3P/c1-6-11-14-15-16-17-18-21-29-22-23-31(30(25-29)24-27(9-4)19-12-7-2)35(32,33,34)26-28(10-5)20-13-8-3/h22-23,25,27-28,32-34H,6-21,24,26H2,1-5H3.
What are the key properties of 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane?
2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane has a molecular weight of 510.78 g/mol, XLogP of 8.86, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-[2-(2-ethylhexyl)-4-nonylphenyl]-trihydroxy-λ5-phosphane is sourced from PubChem (CID 118126828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).