butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane

C10H23O3PS — CID 89235788

IUPACbutoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)OCCCC
InChIInChI=1S/C10H23O3PS/c1-3-5-7-8-10-13-14(11,15)12-9-6-4-2/h3-10H2,1-2H3,(H,11,15)
InChIKeyFHSYTVRXVHCIRJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.62
Rot. Bonds10

About butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 89235788) has the molecular formula C10H23O3PS and a molecular weight of 254.33 g/mol. Its IUPAC name is butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebutoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID89235788
Molecular FormulaC10H23O3PS
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Namebutoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)OCCCC
InChIInChI=1S/C10H23O3PS/c1-3-5-7-8-10-13-14(11,15)12-9-6-4-2/h3-10H2,1-2H3,(H,11,15)
InChIKeyFHSYTVRXVHCIRJ-UHFFFAOYSA-N
XLogP3.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
CID 151457412
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
butyl heptyl hydrogen phosphate
CID 86151412
butoxy-octoxy-sulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 174854596
O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
CID 89066232
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
hydroxy-methylperoxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 126575505
hexadecyl hexyl hydrogen phosphate
CID 15132676

Frequently Asked Questions

What is the IUPAC name of butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane (CID 89235788) is butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane is CCCCCCOP(O)(=S)OCCCC.
What is the InChIKey of butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is FHSYTVRXVHCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PS/c1-3-5-7-8-10-13-14(11,15)12-9-6-4-2/h3-10H2,1-2H3,(H,11,15).
What are the key properties of butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane?
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 254.33 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 89235788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).