1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate

C20H31MoNO2 — CID 134940199

IUPAC1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
SMILESCC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.O.O
InChIInChI=1S/C10H15N.C10H12.Mo.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;;;/h7-9H,1-6H2;1,4-8H,2-3H3;;2*1H2
InChIKeySIVFOWRPZLZGRV-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.35
Rot. Bonds3

About 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate

1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate (PubChem CID 134940199) has the molecular formula C20H31MoNO2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate.

Molecular Properties

Compound Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
PubChem CID134940199
Molecular FormulaC20H31MoNO2
Molecular Weight413.41 g/mol
Exact Mass415.14
IUPAC Name1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate
SMILESCC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.O.O
InChIInChI=1S/C10H15N.C10H12.Mo.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;;;/h7-9H,1-6H2;1,4-8H,2-3H3;;2*1H2
InChIKeySIVFOWRPZLZGRV-UHFFFAOYSA-N
XLogP3.35
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1-adamantylimino)molybdenum(2+);bis(2-methanidylpropan-2-ylbenzene)
CID 153439114
(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 10996132
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis(2,4,6-trimethylphenyl)phenol;3-bromo-1-[3-bromo-2-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2,5-dimethylpyrrol-1-ide);methane;(2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum
CID 159705863
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);tetrakis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;4-methyl-2,6-diphenylphenol;bis((2-methyl-2-phenylpropylidene)-(2,3,4,5,6-pentafluorophenyl)iminomolybdenum);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum
CID 160723269
1-adamantylimino(2,2-dimethylpropylidene)molybdenum;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;2,5-dimethylpyrrol-1-ide
CID 58460810
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
1-[4-(3-tert-butyl-5-phenylphenyl)phenyl]adamantane
CID 168808380
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;1-[2-(2,3-dimethylnaphthalen-1-yl)ethyl]-3-methylnaphthalen-2-ol;[2,6-di(propan-2-yl)phenyl]iminotungsten;propane;tris(pyrrol-1-ide)
CID 162036666
(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol)
CID 10996131
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate?
The IUPAC name of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate (CID 134940199) is 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate.
What is the SMILES notation for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate?
The canonical SMILES for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate is CC(C)(C=[Mo]=NC12CC3CC(CC(C3)C1)C2)c1ccccc1.O.O.
What is the InChIKey of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate?
The InChIKey is SIVFOWRPZLZGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C10H12.Mo.2H2O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;1-10(2,3)9-7-5-4-6-8-9;;;/h7-9H,1-6H2;1,4-8H,2-3H3;;2*1H2.
What are the key properties of 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate?
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate has a molecular weight of 413.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;dihydrate is sourced from PubChem (CID 134940199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).