[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite

C16H27O3P — CID 19899887

IUPAC[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
SMILESCCC(C)(C)c1ccc(OP(O)O)c(C(C)(C)CC)c1
InChIInChI=1S/C16H27O3P/c1-7-15(3,4)12-9-10-14(19-20(17)18)13(11-12)16(5,6)8-2/h9-11,17-18H,7-8H2,1-6H3
InChIKeyAJALGFIICGEQEI-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.65
Rot. Bonds6

About [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite

[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite (PubChem CID 19899887) has the molecular formula C16H27O3P and a molecular weight of 298.36 g/mol. Its IUPAC name is [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
PubChem CID19899887
Molecular FormulaC16H27O3P
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
SMILESCCC(C)(C)c1ccc(OP(O)O)c(C(C)(C)CC)c1
InChIInChI=1S/C16H27O3P/c1-7-15(3,4)12-9-10-14(19-20(17)18)13(11-12)16(5,6)8-2/h9-11,17-18H,7-8H2,1-6H3
InChIKeyAJALGFIICGEQEI-UHFFFAOYSA-N
XLogP4.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
CID 70237708
(2,4-ditert-butylphenyl) dihydrogen phosphite
CID 159985357
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
1-(4-methoxybutoxy)-2,4-bis(2-methylbutan-2-yl)benzene
CID 145479204
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]hydrazine
CID 91743230
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
[2,4-bis(2-methylbutan-2-yl)phenyl] 4-hydroxybenzoate
CID 20611974
1-O-[2,4-bis(2-methylbutan-2-yl)phenyl] 2-O-[2-(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate
CID 21340048

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite?
The IUPAC name of [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite (CID 19899887) is [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite.
What is the SMILES notation for [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite?
The canonical SMILES for [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite is CCC(C)(C)c1ccc(OP(O)O)c(C(C)(C)CC)c1.
What is the InChIKey of [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite?
The InChIKey is AJALGFIICGEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O3P/c1-7-15(3,4)12-9-10-14(19-20(17)18)13(11-12)16(5,6)8-2/h9-11,17-18H,7-8H2,1-6H3.
What are the key properties of [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite?
[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite has a molecular weight of 298.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite is sourced from PubChem (CID 19899887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).