butan-1-ol;hexane;samarium

C10H23OSm- — CID 139987504

IUPACbutan-1-ol;hexane;samarium
SMILESCCCCO.[CH2-]CCCCC.[Sm]
InChIInChI=1S/C6H13.C4H10O.Sm/c1-3-5-6-4-2;1-2-3-4-5;/h1,3-6H2,2H3;5H,2-4H2,1H3;/q-1;;
InChIKeyUFIDPEJIZVGEDD-UHFFFAOYSA-N
MW309.65 g/mol
LogP3.18
Rot. Bonds5

About butan-1-ol;hexane;samarium

butan-1-ol;hexane;samarium (PubChem CID 139987504) has the molecular formula C10H23OSm- and a molecular weight of 309.65 g/mol. Its IUPAC name is butan-1-ol;hexane;samarium.

Molecular Properties

Compound Namebutan-1-ol;hexane;samarium
PubChem CID139987504
Molecular FormulaC10H23OSm-
Molecular Weight309.65 g/mol
Exact Mass311.10
IUPAC Namebutan-1-ol;hexane;samarium
SMILESCCCCO.[CH2-]CCCCC.[Sm]
InChIInChI=1S/C6H13.C4H10O.Sm/c1-3-5-6-4-2;1-2-3-4-5;/h1,3-6H2,2H3;5H,2-4H2,1H3;/q-1;;
InChIKeyUFIDPEJIZVGEDD-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.65
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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tris(butan-1-ol);propane;titanium
CID 150243103
heptadecane
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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;hexane;samarium?
The IUPAC name of butan-1-ol;hexane;samarium (CID 139987504) is butan-1-ol;hexane;samarium.
What is the SMILES notation for butan-1-ol;hexane;samarium?
The canonical SMILES for butan-1-ol;hexane;samarium is CCCCO.[CH2-]CCCCC.[Sm].
What is the InChIKey of butan-1-ol;hexane;samarium?
The InChIKey is UFIDPEJIZVGEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C4H10O.Sm/c1-3-5-6-4-2;1-2-3-4-5;/h1,3-6H2,2H3;5H,2-4H2,1H3;/q-1;;.
What are the key properties of butan-1-ol;hexane;samarium?
butan-1-ol;hexane;samarium has a molecular weight of 309.65 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;hexane;samarium is sourced from PubChem (CID 139987504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).