dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane

C10H21O3PS — CID 11288209

IUPACdec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESC=CCCCCCCCCOP(O)(O)=S
InChIInChI=1S/C10H21O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2H,1,3-10H2,(H2,11,12,15)
InChIKeyLWVBJTXDTCXEJG-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.13
Rot. Bonds10

About dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane

dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 11288209) has the molecular formula C10H21O3PS and a molecular weight of 252.32 g/mol. Its IUPAC name is dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID11288209
Molecular FormulaC10H21O3PS
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC Namedec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESC=CCCCCCCCCOP(O)(O)=S
InChIInChI=1S/C10H21O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2H,1,3-10H2,(H2,11,12,15)
InChIKeyLWVBJTXDTCXEJG-UHFFFAOYSA-N
XLogP3.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.13
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 dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 11288209) is dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane is C=CCCCCCCCCOP(O)(O)=S.
What is the InChIKey of dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is LWVBJTXDTCXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3PS/c1-2-3-4-5-6-7-8-9-10-13-14(11,12)15/h2H,1,3-10H2,(H2,11,12,15).
What are the key properties of dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane?
dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 252.32 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enoxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11288209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).