dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine

C16H37MoNO4 — CID 87301269

IUPACdihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O
InChIInChI=1S/C16H35N.Mo.2H2O.2O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;/h15-17H,5-14H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyXKJIHPUXCFYBJY-UHFFFAOYSA-L
MW403.42 g/mol
LogP3.65
Rot. Bonds12

About dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine

dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine (PubChem CID 87301269) has the molecular formula C16H37MoNO4 and a molecular weight of 403.42 g/mol. Its IUPAC name is dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine.

Molecular Properties

Compound Namedihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
PubChem CID87301269
Molecular FormulaC16H37MoNO4
Molecular Weight403.42 g/mol
Exact Mass405.18
IUPAC Namedihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O
InChIInChI=1S/C16H35N.Mo.2H2O.2O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;/h15-17H,5-14H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2
InChIKeyXKJIHPUXCFYBJY-UHFFFAOYSA-L
XLogP3.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)hexan-1-amine
CID 102905339
2-ethyl-N-pentylhexan-1-amine
CID 43081963
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
2-ethyl-N-(2,3,3-trimethylbutyl)hexan-1-amine
CID 83142777
2-ethyl-N-(2-methoxypropyl)hexan-1-amine
CID 102697932
1-(2-ethylhexylamino)-4,4-dimethylpentan-2-ol
CID 107152038

Frequently Asked Questions

What is the IUPAC name of dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The IUPAC name of dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine (CID 87301269) is dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine.
What is the SMILES notation for dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The canonical SMILES for dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine is CCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O.
What is the InChIKey of dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The InChIKey is XKJIHPUXCFYBJY-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H35N.Mo.2H2O.2O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;/h15-17H,5-14H2,1-4H3;;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine has a molecular weight of 403.42 g/mol, XLogP of 3.65, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine is sourced from PubChem (CID 87301269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).