bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C24H56MoO6P2S2 — CID 175245259

IUPACbis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESOP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Mo+2]
InChIInChI=1S/2C12H25.Mo.2H3O3PS/c2*1-3-5-7-9-11-12-10-8-6-4-2;;2*1-4(2,3)5/h2*1,3-12H2,2H3;;2*(H3,1,2,3,5)/q2*-1;+2;;
InChIKeyVJJCOZHFLCAJIP-UHFFFAOYSA-N
MW662.73 g/mol
LogP7.86
Rot. Bonds18

About bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175245259) has the molecular formula C24H56MoO6P2S2 and a molecular weight of 662.73 g/mol. Its IUPAC name is bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175245259
Molecular FormulaC24H56MoO6P2S2
Molecular Weight662.73 g/mol
Exact Mass664.20
IUPAC Namebis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESOP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Mo+2]
InChIInChI=1S/2C12H25.Mo.2H3O3PS/c2*1-3-5-7-9-11-12-10-8-6-4-2;;2*1-4(2,3)5/h2*1,3-12H2,2H3;;2*(H3,1,2,3,5)/q2*-1;+2;;
InChIKeyVJJCOZHFLCAJIP-UHFFFAOYSA-N
XLogP7.86
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 57.86
H-Bond Donors ≤ 56
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': '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(decane);oxomolybdenum;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174574861
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
heptadecane
CID 156905849
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
magnesium;dodecane;phosphoric acid
CID 173337658
neodymium;bis(octane);phosphoric acid
CID 174405180
hexadecane;phosphoric acid;zinc
CID 87392873
sodium;phosphoric acid;tridecane
CID 162219181
cadmium;octadecane;phosphoric acid
CID 174848496
methanol;octadecane;titanium
CID 87743640

Frequently Asked Questions

What is the IUPAC name of bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175245259) is bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is OP(O)(O)=S.OP(O)(O)=S.[CH2-]CCCCCCCCCCC.[CH2-]CCCCCCCCCCC.[Mo+2].
What is the InChIKey of bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is VJJCOZHFLCAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25.Mo.2H3O3PS/c2*1-3-5-7-9-11-12-10-8-6-4-2;;2*1-4(2,3)5/h2*1,3-12H2,2H3;;2*(H3,1,2,3,5)/q2*-1;+2;;.
What are the key properties of bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 662.73 g/mol, XLogP of 7.86, 18 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175245259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).