manganese;bis(octadecan-1-ol)

C36H76MnO2 — CID 177458436

IUPACmanganese;bis(octadecan-1-ol)
SMILESCCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Mn]
InChIInChI=1S/2C18H38O.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2*19H,2-18H2,1H3;
InChIKeyBIKNHDGFPSRSHW-UHFFFAOYSA-N
MW595.94 g/mol
LogP12.48
Rot. Bonds32

About manganese;bis(octadecan-1-ol)

manganese;bis(octadecan-1-ol) (PubChem CID 177458436) has the molecular formula C36H76MnO2 and a molecular weight of 595.94 g/mol. Its IUPAC name is manganese;bis(octadecan-1-ol).

Molecular Properties

Compound Namemanganese;bis(octadecan-1-ol)
PubChem CID177458436
Molecular FormulaC36H76MnO2
Molecular Weight595.94 g/mol
Exact Mass595.52
IUPAC Namemanganese;bis(octadecan-1-ol)
SMILESCCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Mn]
InChIInChI=1S/2C18H38O.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2*19H,2-18H2,1H3;
InChIKeyBIKNHDGFPSRSHW-UHFFFAOYSA-N
XLogP12.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.94
LogP ≤ 512.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

manganese;tridecan-1-ol
CID 175095673
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of manganese;bis(octadecan-1-ol)?
The IUPAC name of manganese;bis(octadecan-1-ol) (CID 177458436) is manganese;bis(octadecan-1-ol).
What is the SMILES notation for manganese;bis(octadecan-1-ol)?
The canonical SMILES for manganese;bis(octadecan-1-ol) is CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCCCCO.[Mn].
What is the InChIKey of manganese;bis(octadecan-1-ol)?
The InChIKey is BIKNHDGFPSRSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H38O.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h2*19H,2-18H2,1H3;.
What are the key properties of manganese;bis(octadecan-1-ol)?
manganese;bis(octadecan-1-ol) has a molecular weight of 595.94 g/mol, XLogP of 12.48, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;bis(octadecan-1-ol) is sourced from PubChem (CID 177458436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).