(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite

C18H31O3P — CID 54359277

IUPAC(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
SMILESCCCCC(CC)COP(O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C18H31O3P/c1-6-8-11-15(7-2)14-20-22(19)21-17-13-10-9-12-16(17)18(3,4)5/h9-10,12-13,15,19H,6-8,11,14H2,1-5H3
InChIKeyULIIHBDGKXKRMJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.82
Rot. Bonds9

About (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite

(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite (PubChem CID 54359277) has the molecular formula C18H31O3P and a molecular weight of 326.42 g/mol. Its IUPAC name is (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite.

Molecular Properties

Compound Name(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
PubChem CID54359277
Molecular FormulaC18H31O3P
Molecular Weight326.42 g/mol
Exact Mass326.20
IUPAC Name(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
SMILESCCCCC(CC)COP(O)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C18H31O3P/c1-6-8-11-15(7-2)14-20-22(19)21-17-13-10-9-12-16(17)18(3,4)5/h9-10,12-13,15,19H,6-8,11,14H2,1-5H3
InChIKeyULIIHBDGKXKRMJ-UHFFFAOYSA-N
XLogP5.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
CID 161432608
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
CID 67658344
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548
[2-ethylhexoxy(hydroxy)phosphanyl] diphenyl phosphate
CID 174771557
lithium;bis(2-ethyloctyl) hydrogen phosphite;hydride
CID 173436132
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
1-(2-ethylhexoxy)-2-iodobenzene
CID 63531465
(2-tert-butylphenyl) bis(2-nonylphenyl) phosphite
CID 69425077
2-ethylhexyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807720
1-tert-butyl-2-heptoxybenzene
CID 64763672

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite?
The IUPAC name of (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite (CID 54359277) is (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite.
What is the SMILES notation for (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite?
The canonical SMILES for (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite is CCCCC(CC)COP(O)Oc1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite?
The InChIKey is ULIIHBDGKXKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31O3P/c1-6-8-11-15(7-2)14-20-22(19)21-17-13-10-9-12-16(17)18(3,4)5/h9-10,12-13,15,19H,6-8,11,14H2,1-5H3.
What are the key properties of (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite?
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite has a molecular weight of 326.42 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite is sourced from PubChem (CID 54359277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).