butan-1-one;pentan-1-ol;zinc

C9H19O2Zn- — CID 174566497

IUPACbutan-1-one;pentan-1-ol;zinc
SMILESCCCCCO.CCC[C-]=O.[Zn]
InChIInChI=1S/C5H12O.C4H7O.Zn/c1-2-3-4-5-6;1-2-3-4-5;/h6H,2-5H2,1H3;2-3H2,1H3;/q;-1;
InChIKeyYRMZFUIEPOAVJI-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.06
Rot. Bonds5

About butan-1-one;pentan-1-ol;zinc

butan-1-one;pentan-1-ol;zinc (PubChem CID 174566497) has the molecular formula C9H19O2Zn- and a molecular weight of 224.64 g/mol. Its IUPAC name is butan-1-one;pentan-1-ol;zinc.

Molecular Properties

Compound Namebutan-1-one;pentan-1-ol;zinc
PubChem CID174566497
Molecular FormulaC9H19O2Zn-
Molecular Weight224.64 g/mol
Exact Mass223.07
IUPAC Namebutan-1-one;pentan-1-ol;zinc
SMILESCCCCCO.CCC[C-]=O.[Zn]
InChIInChI=1S/C5H12O.C4H7O.Zn/c1-2-3-4-5-6;1-2-3-4-5;/h6H,2-5H2,1H3;2-3H2,1H3;/q;-1;
InChIKeyYRMZFUIEPOAVJI-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octakis(octan-1-ol);zinc
CID 175851316
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
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
gold;pentan-1-ol
CID 152701196
nickel;pentan-1-ol
CID 157287705
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
azane;tris(pentan-1-ol)
CID 175785399
pentan-1-ol;yttrium
CID 154312100

Frequently Asked Questions

What is the IUPAC name of butan-1-one;pentan-1-ol;zinc?
The IUPAC name of butan-1-one;pentan-1-ol;zinc (CID 174566497) is butan-1-one;pentan-1-ol;zinc.
What is the SMILES notation for butan-1-one;pentan-1-ol;zinc?
The canonical SMILES for butan-1-one;pentan-1-ol;zinc is CCCCCO.CCC[C-]=O.[Zn].
What is the InChIKey of butan-1-one;pentan-1-ol;zinc?
The InChIKey is YRMZFUIEPOAVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H7O.Zn/c1-2-3-4-5-6;1-2-3-4-5;/h6H,2-5H2,1H3;2-3H2,1H3;/q;-1;.
What are the key properties of butan-1-one;pentan-1-ol;zinc?
butan-1-one;pentan-1-ol;zinc has a molecular weight of 224.64 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-one;pentan-1-ol;zinc is sourced from PubChem (CID 174566497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).