bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C24H58O8P2S2 — CID 175540063

IUPACbis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCCCCCCCCO.CCCCCCCCCCCCO.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C12H26O.2H3O3PS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-4(2,3)5/h2*13H,2-12H2,1H3;2*(H3,1,2,3,5)
InChIKeyKWUOIWFYJAGPHH-UHFFFAOYSA-N
MW600.80 g/mol
LogP6.17
Rot. Bonds20

About bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)

bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 175540063) has the molecular formula C24H58O8P2S2 and a molecular weight of 600.80 g/mol. Its IUPAC name is bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID175540063
Molecular FormulaC24H58O8P2S2
Molecular Weight600.80 g/mol
Exact Mass600.30
IUPAC Namebis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCCCCCCCCO.CCCCCCCCCCCCO.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C12H26O.2H3O3PS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-4(2,3)5/h2*13H,2-12H2,1H3;2*(H3,1,2,3,5)
InChIKeyKWUOIWFYJAGPHH-UHFFFAOYSA-N
XLogP6.17
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.80
LogP ≤ 56.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
hexan-1-ol;nonane
CID 175106830
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
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432

Frequently Asked Questions

What is the IUPAC name of bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 175540063) is bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CCCCCCCCCCCCO.CCCCCCCCCCCCO.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is KWUOIWFYJAGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H26O.2H3O3PS/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-4(2,3)5/h2*13H,2-12H2,1H3;2*(H3,1,2,3,5).
What are the key properties of bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 600.80 g/mol, XLogP of 6.17, 20 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 175540063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).