molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride

C33H62Cl2MoO — CID 175333196

IUPACmolybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
SMILESCCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1CCCCCCCCC.Cl.Cl.[Mo]
InChIInChI=1S/C33H60O.2ClH.Mo/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2;;;/h28-29,34H,4-27H2,1-3H3;2*1H;
InChIKeyJELDYBYMNACTOT-UHFFFAOYSA-N
MW641.70 g/mol
LogP12.11
Rot. Bonds24

About molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride

molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride (PubChem CID 175333196) has the molecular formula C33H62Cl2MoO and a molecular weight of 641.70 g/mol. Its IUPAC name is molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride.

Molecular Properties

Compound Namemolybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
PubChem CID175333196
Molecular FormulaC33H62Cl2MoO
Molecular Weight641.70 g/mol
Exact Mass642.32
IUPAC Namemolybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride
SMILESCCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1CCCCCCCCC.Cl.Cl.[Mo]
InChIInChI=1S/C33H60O.2ClH.Mo/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2;;;/h28-29,34H,4-27H2,1-3H3;2*1H;
InChIKeyJELDYBYMNACTOT-UHFFFAOYSA-N
XLogP12.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.70
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride 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

3,4-diheptyl-2-hexylphenol
CID 66866250
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2-[[6-hydroxy-2,3-di(nonyl)phenyl]methyl]-3,4-di(nonyl)phenol
CID 70404380
4-ethyl-2-heptyl-3-pentylphenol
CID 66865655
4-ethyl-3-hexyl-2-octylphenol
CID 66866506
2-pentyl-3,4-dipropylphenol
CID 66866454
2,3-dihexylbenzene-1,4-diol
CID 69329716
2,3-di(nonadecyl)phenol
CID 151687635
3,4-bis(2-aminoethyl)-2-nonylphenol
CID 160520570
2-dodecyl-4-ethyl-3-propylphenol
CID 66867159
2-butyl-3-hexylphenol
CID 141346396

Frequently Asked Questions

What is the IUPAC name of molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride?
The IUPAC name of molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride (CID 175333196) is molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride.
What is the SMILES notation for molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride?
The canonical SMILES for molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride is CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1CCCCCCCCC.Cl.Cl.[Mo].
What is the InChIKey of molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride?
The InChIKey is JELDYBYMNACTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60O.2ClH.Mo/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2;;;/h28-29,34H,4-27H2,1-3H3;2*1H;.
What are the key properties of molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride?
molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride has a molecular weight of 641.70 g/mol, XLogP of 12.11, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;2,3,4-tri(nonyl)phenol;dihydrochloride is sourced from PubChem (CID 175333196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).