hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane

C8H19O4PS — CID 151457412

IUPAChydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(O)(=S)OOCCC
InChIInChI=1S/C8H19O4PS/c1-3-5-6-8-11-13(9,14)12-10-7-4-2/h3-8H2,1-2H3,(H,9,14)
InChIKeyPHSWOJFCZXFXAQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.77
Rot. Bonds9

About hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane

hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane (PubChem CID 151457412) has the molecular formula C8H19O4PS and a molecular weight of 242.28 g/mol. Its IUPAC name is hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
PubChem CID151457412
Molecular FormulaC8H19O4PS
Molecular Weight242.28 g/mol
Exact Mass242.07
IUPAC Namehydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(O)(=S)OOCCC
InChIInChI=1S/C8H19O4PS/c1-3-5-6-8-11-13(9,14)12-10-7-4-2/h3-8H2,1-2H3,(H,9,14)
InChIKeyPHSWOJFCZXFXAQ-UHFFFAOYSA-N
XLogP2.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083
hydroxy-methylperoxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 126575505
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
CID 89066232
decyl propyl hydrogen phosphate
CID 87587050
[dodecoxy-[dodecoxy(hydroxy)phosphinothioyl]oxyphosphinothioyl] carbamate;molybdenum
CID 175308885
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158

Frequently Asked Questions

What is the IUPAC name of hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane (CID 151457412) is hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane is CCCCCOP(O)(=S)OOCCC.
What is the InChIKey of hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane?
The InChIKey is PHSWOJFCZXFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4PS/c1-3-5-6-8-11-13(9,14)12-10-7-4-2/h3-8H2,1-2H3,(H,9,14).
What are the key properties of hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane?
hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane has a molecular weight of 242.28 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-pentoxy-propylperoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 151457412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).