3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane

C10H23O3PS — CID 22107490

IUPAC3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC(CC)(CC)OP(O)(O)=S
InChIInChI=1S/C10H23O3PS/c1-4-7-8-9-10(5-2,6-3)13-14(11,12)15/h4-9H2,1-3H3,(H2,11,12,15)
InChIKeyPIWWYZRPBJWMCV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.35
Rot. Bonds8

About 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane

3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 22107490) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID22107490
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCC(CC)(CC)OP(O)(O)=S
InChIInChI=1S/C10H23O3PS/c1-4-7-8-9-10(5-2,6-3)13-14(11,12)15/h4-9H2,1-3H3,(H2,11,12,15)
InChIKeyPIWWYZRPBJWMCV-UHFFFAOYSA-N
XLogP3.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-ethyl-3-hydroperoxytridecane
CID 140733477
hydroxy-[2-methyl-4-(2-methylpropyl)nonan-4-yl]oxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 88785423
3-ethyl-3-methoxydecane
CID 89190150
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
3-butoxy-3-ethyloctane
CID 156635634
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
3-ethyl-3-hydroperoxyperoxyundecane
CID 140733468
1,1-difluorohexyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87990590
3-ethyloctan-3-yl butanoate
CID 154020166
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
3-ethyloctan-3-yl 2-sulfanylacetate
CID 57294027
3-ethyloctan-3-yl hexadecanoate
CID 141194185

Frequently Asked Questions

What is the IUPAC name of 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane (CID 22107490) is 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane is CCCCCC(CC)(CC)OP(O)(O)=S.
What is the InChIKey of 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is PIWWYZRPBJWMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PS/c1-4-7-8-9-10(5-2,6-3)13-14(11,12)15/h4-9H2,1-3H3,(H2,11,12,15).
What are the key properties of 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane?
3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 254.33 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloctan-3-yloxy-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 22107490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).