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

C14H29O3PS — CID 11220562

IUPACdihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane
SMILESCCCC/C=C/CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C14H29O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h5-6H,2-4,7-14H2,1H3,(H2,15,16,19)/b6-5+
InChIKeyJIUMNBPJJCCLAG-AATRIKPKSA-N
MW308.42 g/mol
LogP4.69
Rot. Bonds13

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

dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane (PubChem CID 11220562) has the molecular formula C14H29O3PS and a molecular weight of 308.42 g/mol. Its IUPAC name is dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane
PubChem CID11220562
Molecular FormulaC14H29O3PS
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Namedihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane
SMILESCCCC/C=C/CCCCCCCCOP(O)(O)=S
InChIInChI=1S/C14H29O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h5-6H,2-4,7-14H2,1H3,(H2,15,16,19)/b6-5+
InChIKeyJIUMNBPJJCCLAG-AATRIKPKSA-N
XLogP4.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.69
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 dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane (CID 11220562) is dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane is CCCC/C=C/CCCCCCCCOP(O)(O)=S.
What is the InChIKey of dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane?
The InChIKey is JIUMNBPJJCCLAG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H29O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h5-6H,2-4,7-14H2,1H3,(H2,15,16,19)/b6-5+.
What are the key properties of dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane?
dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane has a molecular weight of 308.42 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanylidene-[(E)-tetradec-9-enoxy]-λ5-phosphane is sourced from PubChem (CID 11220562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).