diheptoxy(heptylsulfanyl)phosphane

C21H45O2PS — CID 54315331

IUPACdiheptoxy(heptylsulfanyl)phosphane
SMILESCCCCCCCOP(OCCCCCCC)SCCCCCCC
InChIInChI=1S/C21H45O2PS/c1-4-7-10-13-16-19-22-24(23-20-17-14-11-8-5-2)25-21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeySNTJCFULMQGKFY-UHFFFAOYSA-N
MW392.63 g/mol
LogP8.89
Rot. Bonds21

About diheptoxy(heptylsulfanyl)phosphane

diheptoxy(heptylsulfanyl)phosphane (PubChem CID 54315331) has the molecular formula C21H45O2PS and a molecular weight of 392.63 g/mol. Its IUPAC name is diheptoxy(heptylsulfanyl)phosphane.

Molecular Properties

Compound Namediheptoxy(heptylsulfanyl)phosphane
PubChem CID54315331
Molecular FormulaC21H45O2PS
Molecular Weight392.63 g/mol
Exact Mass392.29
IUPAC Namediheptoxy(heptylsulfanyl)phosphane
SMILESCCCCCCCOP(OCCCCCCC)SCCCCCCC
InChIInChI=1S/C21H45O2PS/c1-4-7-10-13-16-19-22-24(23-20-17-14-11-8-5-2)25-21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeySNTJCFULMQGKFY-UHFFFAOYSA-N
XLogP8.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dibutoxy(butylsulfanyl)phosphane
CID 19799721
hexoxy-bis(hexylsulfanyl)phosphane
CID 87318864
dodecyl 13-didodecoxyphosphanylsulfanyltridecanoate
CID 101318190
hexoxy(hexylsulfanyl)phosphinothious acid
CID 87318510
diethyl(hexoxy)phosphane
CID 87283104
triheptadecyl phosphite
CID 23435031
didodecoxy(phenylsulfanyl)phosphane
CID 169021421
dichloro(heptylsulfanyl)phosphane
CID 23280615
didecyl hydrogen phosphite
CID 14151265
chloro(didodecoxy)phosphane
CID 54405346
disodium;hexyl phosphite
CID 139691830
decoxy(octoxy)phosphinothious acid
CID 54152589

Frequently Asked Questions

What is the IUPAC name of diheptoxy(heptylsulfanyl)phosphane?
The IUPAC name of diheptoxy(heptylsulfanyl)phosphane (CID 54315331) is diheptoxy(heptylsulfanyl)phosphane.
What is the SMILES notation for diheptoxy(heptylsulfanyl)phosphane?
The canonical SMILES for diheptoxy(heptylsulfanyl)phosphane is CCCCCCCOP(OCCCCCCC)SCCCCCCC.
What is the InChIKey of diheptoxy(heptylsulfanyl)phosphane?
The InChIKey is SNTJCFULMQGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45O2PS/c1-4-7-10-13-16-19-22-24(23-20-17-14-11-8-5-2)25-21-18-15-12-9-6-3/h4-21H2,1-3H3.
What are the key properties of diheptoxy(heptylsulfanyl)phosphane?
diheptoxy(heptylsulfanyl)phosphane has a molecular weight of 392.63 g/mol, XLogP of 8.89, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diheptoxy(heptylsulfanyl)phosphane is sourced from PubChem (CID 54315331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).