[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite

C30H55O3P — CID 67658344

IUPAC[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
SMILESCCCCCCCC(CC(CC)CCCC)(CC(CC)CCCC)c1ccccc1OP(O)O
InChIInChI=1S/C30H55O3P/c1-6-11-14-15-18-23-30(24-26(9-4)19-12-7-2,25-27(10-5)20-13-8-3)28-21-16-17-22-29(28)33-34(31)32/h16-17,21-22,26-27,31-32H,6-15,18-20,23-25H2,1-5H3
InChIKeyCPHINHHGUPHMNW-UHFFFAOYSA-N
MW494.74 g/mol
LogP10.09
Rot. Bonds21

About [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite

[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite (PubChem CID 67658344) has the molecular formula C30H55O3P and a molecular weight of 494.74 g/mol. Its IUPAC name is [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
PubChem CID67658344
Molecular FormulaC30H55O3P
Molecular Weight494.74 g/mol
Exact Mass494.39
IUPAC Name[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
SMILESCCCCCCCC(CC(CC)CCCC)(CC(CC)CCCC)c1ccccc1OP(O)O
InChIInChI=1S/C30H55O3P/c1-6-11-14-15-18-23-30(24-26(9-4)19-12-7-2,25-27(10-5)20-13-8-3)28-21-16-17-22-29(28)33-34(31)32/h16-17,21-22,26-27,31-32H,6-15,18-20,23-25H2,1-5H3
InChIKeyCPHINHHGUPHMNW-UHFFFAOYSA-N
XLogP10.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.74
LogP ≤ 510.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,1-diphenyloctyl)phenyl] dihydrogen phosphite
CID 175096333
[2-[15-(2-dihydroxyphosphanyloxyphenyl)-14,14-di(tridecyl)nonacosan-15-yl]phenyl] dihydrogen phosphite
CID 54144706
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
CID 54359277
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
1-[1-chloro-2-(chloromethyl)-4-ethyloctan-2-yl]-2-methylbenzene
CID 79453391
[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite
CID 70577163
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
[2-(3-ethyloctan-3-yl)phenyl] dihydrogen phosphate
CID 141453576
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
CID 161432608

Frequently Asked Questions

What is the IUPAC name of [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite?
The IUPAC name of [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite (CID 67658344) is [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite.
What is the SMILES notation for [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite?
The canonical SMILES for [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite is CCCCCCCC(CC(CC)CCCC)(CC(CC)CCCC)c1ccccc1OP(O)O.
What is the InChIKey of [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite?
The InChIKey is CPHINHHGUPHMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55O3P/c1-6-11-14-15-18-23-30(24-26(9-4)19-12-7-2,25-27(10-5)20-13-8-3)28-21-16-17-22-29(28)33-34(31)32/h16-17,21-22,26-27,31-32H,6-15,18-20,23-25H2,1-5H3.
What are the key properties of [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite?
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite has a molecular weight of 494.74 g/mol, XLogP of 10.09, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite is sourced from PubChem (CID 67658344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).