molybdenum;octan-2-one;hydrate

C8H18MoO2 — CID 174900945

IUPACmolybdenum;octan-2-one;hydrate
SMILESCCCCCCC(C)=O.O.[Mo]
InChIInChI=1S/C8H16O.Mo.H2O/c1-3-4-5-6-7-8(2)9;;/h3-7H2,1-2H3;;1H2
InChIKeyFCEODDPRMQUNSB-UHFFFAOYSA-N
MW242.17 g/mol
LogP1.72
Rot. Bonds5

About molybdenum;octan-2-one;hydrate

molybdenum;octan-2-one;hydrate (PubChem CID 174900945) has the molecular formula C8H18MoO2 and a molecular weight of 242.17 g/mol. Its IUPAC name is molybdenum;octan-2-one;hydrate.

Molecular Properties

Compound Namemolybdenum;octan-2-one;hydrate
PubChem CID174900945
Molecular FormulaC8H18MoO2
Molecular Weight242.17 g/mol
Exact Mass244.04
IUPAC Namemolybdenum;octan-2-one;hydrate
SMILESCCCCCCC(C)=O.O.[Mo]
InChIInChI=1S/C8H16O.Mo.H2O/c1-3-4-5-6-7-8(2)9;;/h3-7H2,1-2H3;;1H2
InChIKeyFCEODDPRMQUNSB-UHFFFAOYSA-N
XLogP1.72
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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nonan-2-one
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decan-2-one
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docosan-2-one
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methanol;octan-2-one
CID 158579665
octan-2-one;platinum
CID 174910160
methane;octan-2-one
CID 159061487
nickel;octan-2-one
CID 174810035
formaldehyde;octan-2-one
CID 22056500
sodium;ethane;heptadecan-2-one
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Frequently Asked Questions

What is the IUPAC name of molybdenum;octan-2-one;hydrate?
The IUPAC name of molybdenum;octan-2-one;hydrate (CID 174900945) is molybdenum;octan-2-one;hydrate.
What is the SMILES notation for molybdenum;octan-2-one;hydrate?
The canonical SMILES for molybdenum;octan-2-one;hydrate is CCCCCCC(C)=O.O.[Mo].
What is the InChIKey of molybdenum;octan-2-one;hydrate?
The InChIKey is FCEODDPRMQUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.Mo.H2O/c1-3-4-5-6-7-8(2)9;;/h3-7H2,1-2H3;;1H2.
What are the key properties of molybdenum;octan-2-one;hydrate?
molybdenum;octan-2-one;hydrate has a molecular weight of 242.17 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;octan-2-one;hydrate is sourced from PubChem (CID 174900945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).