trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane

C25H47O3P — CID 88763207

IUPACtrihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane
SMILESCCCCCCC(C)c1c(C)cc(C)c(P(O)(O)(O)C(C)CCCCCC)c1C
InChIInChI=1S/C25H47O3P/c1-8-10-12-14-16-19(3)24-20(4)18-21(5)25(23(24)7)29(26,27,28)22(6)17-15-13-11-9-2/h18-19,22,26-28H,8-17H2,1-7H3
InChIKeyKYQOUMXLAKJIJY-UHFFFAOYSA-N
MW426.62 g/mol
LogP6.95
Rot. Bonds13

About trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane

trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane (PubChem CID 88763207) has the molecular formula C25H47O3P and a molecular weight of 426.62 g/mol. Its IUPAC name is trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane.

Molecular Properties

Compound Nametrihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane
PubChem CID88763207
Molecular FormulaC25H47O3P
Molecular Weight426.62 g/mol
Exact Mass426.33
IUPAC Nametrihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane
SMILESCCCCCCC(C)c1c(C)cc(C)c(P(O)(O)(O)C(C)CCCCCC)c1C
InChIInChI=1S/C25H47O3P/c1-8-10-12-14-16-19(3)24-20(4)18-21(5)25(23(24)7)29(26,27,28)22(6)17-15-13-11-9-2/h18-19,22,26-28H,8-17H2,1-7H3
InChIKeyKYQOUMXLAKJIJY-UHFFFAOYSA-N
XLogP6.95
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.62
LogP ≤ 56.95
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

1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
3-(1-chloroheptyl)-1,2,4,5-tetramethylbenzene
CID 114753498
4-chloro-5-methyl-2-octan-2-ylphenol
CID 15788408
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
5-nonan-2-ylbenzene-1,3-diol
CID 15347172
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
4-methyl-3-octan-2-ylphthalic acid
CID 69472032

Frequently Asked Questions

What is the IUPAC name of trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane?
The IUPAC name of trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane (CID 88763207) is trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane.
What is the SMILES notation for trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane?
The canonical SMILES for trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane is CCCCCCC(C)c1c(C)cc(C)c(P(O)(O)(O)C(C)CCCCCC)c1C.
What is the InChIKey of trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane?
The InChIKey is KYQOUMXLAKJIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47O3P/c1-8-10-12-14-16-19(3)24-20(4)18-21(5)25(23(24)7)29(26,27,28)22(6)17-15-13-11-9-2/h18-19,22,26-28H,8-17H2,1-7H3.
What are the key properties of trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane?
trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane has a molecular weight of 426.62 g/mol, XLogP of 6.95, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-octan-2-yl-(2,4,6-trimethyl-3-octan-2-ylphenyl)-λ5-phosphane is sourced from PubChem (CID 88763207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).