[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane

C12H25O3PS — CID 11208266

IUPAC[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC/C=C/CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
InChIKeyWIHXFYRABDDREX-ONEGZZNKSA-N
MW280.37 g/mol
LogP3.91
Rot. Bonds11

About [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane

[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 11208266) has the molecular formula C12H25O3PS and a molecular weight of 280.37 g/mol. Its IUPAC name is [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID11208266
Molecular FormulaC12H25O3PS
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCC/C=C/CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
InChIKeyWIHXFYRABDDREX-ONEGZZNKSA-N
XLogP3.91
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane (CID 11208266) is [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane is CC/C=C/CCCCCCCCOP(O)(O)=S.
What is the InChIKey of [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is WIHXFYRABDDREX-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+.
What are the key properties of [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane?
[(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 280.37 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-9-enoxy]-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11208266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).