lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)

C99H100Al2LiO6P5 — CID 157492286

IUPAClithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)
SMILESC1CCOC1.C=O.C=O.C=O.C=O.C=O.[AlH3].[AlH3].[H-].[Li+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/5C18H15P.C4H8O.5CH2O.2Al.Li.7H/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;5*1-2;;;;;;;;;;/h5*1-15H;1-4H2;5*1H2;;;;;;;;;;/q;;;;;;;;;;;;;+1;;;;;;;-1
InChIKeyNFENEVJSHBEPEX-UHFFFAOYSA-N
MW1601.66 g/mol
LogP11.85
Rot. Bonds15

About lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)

lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane) (PubChem CID 157492286) has the molecular formula C99H100Al2LiO6P5 and a molecular weight of 1601.66 g/mol. Its IUPAC name is lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane).

Molecular Properties

Compound Namelithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)
PubChem CID157492286
Molecular FormulaC99H100Al2LiO6P5
Molecular Weight1601.66 g/mol
Exact Mass1600.60
IUPAC Namelithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)
SMILESC1CCOC1.C=O.C=O.C=O.C=O.C=O.[AlH3].[AlH3].[H-].[Li+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/5C18H15P.C4H8O.5CH2O.2Al.Li.7H/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;5*1-2;;;;;;;;;;/h5*1-15H;1-4H2;5*1H2;;;;;;;;;;/q;;;;;;;;;;;;;+1;;;;;;;-1
InChIKeyNFENEVJSHBEPEX-UHFFFAOYSA-N
XLogP11.85
TPSA94.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001601.66
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;hydride;rhodium;tris(triphenylphosphane)
CID 53486328
cobalt;formaldehyde;triphenylphosphane
CID 173310038
formaldehyde;rhodium;bis(triphenylphosphane);chloride
CID 53486327
lithium;diphenylphosphinate;oxolane
CID 139065490
chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
CID 21268968
lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
CID 139107768
CID 174941235
CID 174941235
stibane;triphenylphosphane;hexahydrofluoride
CID 174582566
triphenylphosphane
CID 139056248
ethene;platinum;triphenylphosphane
CID 11071312
chlororuthenium(1+);formaldehyde;nitroxyl anion;bis(triphenylphosphane)
CID 21271333
benzeneselenolate;erbium(3+);oxolane
CID 139134737

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)?
The IUPAC name of lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane) (CID 157492286) is lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane).
What is the SMILES notation for lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)?
The canonical SMILES for lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane) is C1CCOC1.C=O.C=O.C=O.C=O.C=O.[AlH3].[AlH3].[H-].[Li+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)?
The InChIKey is NFENEVJSHBEPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H15P.C4H8O.5CH2O.2Al.Li.7H/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;5*1-2;;;;;;;;;;/h5*1-15H;1-4H2;5*1H2;;;;;;;;;;/q;;;;;;;;;;;;;+1;;;;;;;-1.
What are the key properties of lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane)?
lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane) has a molecular weight of 1601.66 g/mol, XLogP of 11.85, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;alumane;formaldehyde;hydride;oxolane;pentakis(triphenylphosphane) is sourced from PubChem (CID 157492286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).