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

C16H51Mo8NO32 — CID 173007117

IUPACoctakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O
InChIInChI=1S/C16H35N.8Mo.16H2O.16O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,5-14H2,1-4H3;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;/q;8*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-16
InChIKeySVLOOLGPAUWYLP-UHFFFAOYSA-A
MW1537.08 g/mol
LogP-5.82
Rot. Bonds12

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

octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine (PubChem CID 173007117) has the molecular formula C16H51Mo8NO32 and a molecular weight of 1537.08 g/mol. Its IUPAC name is octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine.

Molecular Properties

Compound Nameoctakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
PubChem CID173007117
Molecular FormulaC16H51Mo8NO32
Molecular Weight1537.08 g/mol
Exact Mass1552.48
IUPAC Nameoctakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
SMILESCCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O
InChIInChI=1S/C16H35N.8Mo.16H2O.16O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,5-14H2,1-4H3;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;/q;8*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-16
InChIKeySVLOOLGPAUWYLP-UHFFFAOYSA-A
XLogP-5.82
TPSA608.83 Ų
H-Bond Donors17
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.08
LogP ≤ 5-5.82
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1017

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Related Compounds

dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
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 octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The IUPAC name of octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine (CID 173007117) is octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine.
What is the SMILES notation for octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The canonical SMILES for octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine is CCCCC(CC)CNCC(CC)CCCC.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.O=[Mo](=O)(O)O.
What is the InChIKey of octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
The InChIKey is SVLOOLGPAUWYLP-UHFFFAOYSA-A. The full InChI is InChI=1S/C16H35N.8Mo.16H2O.16O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h15-17H,5-14H2,1-4H3;;;;;;;;;16*1H2;;;;;;;;;;;;;;;;/q;8*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-16.
What are the key properties of octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine?
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine has a molecular weight of 1537.08 g/mol, XLogP of -5.82, 12 rotatable bonds, 17 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine is sourced from PubChem (CID 173007117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).