bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C20H48MoO7P2S2-2 — CID 174574861

IUPACbis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESO=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCC.[CH2-]CCCCCCCCC
InChIInChI=1S/2C10H21.Mo.2H3O3PS.O/c2*1-3-5-7-9-10-8-6-4-2;;2*1-4(2,3)5;/h2*1,3-10H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;
InChIKeyYUMQQZHWWCTQLN-UHFFFAOYSA-N
MW622.62 g/mol
LogP6.18
Rot. Bonds14

About bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 174574861) has the molecular formula C20H48MoO7P2S2-2 and a molecular weight of 622.62 g/mol. Its IUPAC name is bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID174574861
Molecular FormulaC20H48MoO7P2S2-2
Molecular Weight622.62 g/mol
Exact Mass624.14
IUPAC Namebis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESO=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCC.[CH2-]CCCCCCCCC
InChIInChI=1S/2C10H21.Mo.2H3O3PS.O/c2*1-3-5-7-9-10-8-6-4-2;;2*1-4(2,3)5;/h2*1,3-10H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;
InChIKeyYUMQQZHWWCTQLN-UHFFFAOYSA-N
XLogP6.18
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 56.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
butane;oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175260693
magnesium;dodecane;phosphoric acid
CID 173337658
neodymium;bis(octane);phosphoric acid
CID 174405180
sodium;phosphoric acid;tridecane
CID 162219181
cadmium;octadecane;phosphoric acid
CID 174848496
hexadecane;phosphoric acid;zinc
CID 87392873
bis(hexane);neodymium;phosphoric acid
CID 159368892
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
heptadecane
CID 156905849

Frequently Asked Questions

What is the IUPAC name of bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 174574861) is bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is O=[Mo].OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCC.[CH2-]CCCCCCCCC.
What is the InChIKey of bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is YUMQQZHWWCTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21.Mo.2H3O3PS.O/c2*1-3-5-7-9-10-8-6-4-2;;2*1-4(2,3)5;/h2*1,3-10H2,2H3;;2*(H3,1,2,3,5);/q2*-1;;;;.
What are the key properties of bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 622.62 g/mol, XLogP of 6.18, 14 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 174574861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).