1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane

C17H37O5PS — CID 21153148

IUPAC1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane
SMILESCCCCCCCCCSP(=O)(OCCOCC)OCCOCC
InChIInChI=1S/C17H37O5PS/c1-4-7-8-9-10-11-12-17-24-23(18,21-15-13-19-5-2)22-16-14-20-6-3/h4-17H2,1-3H3
InChIKeyQFVXHWJKQWSNLW-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.68
Rot. Bonds19

About 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane

1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane (PubChem CID 21153148) has the molecular formula C17H37O5PS and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane.

Molecular Properties

Compound Name1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane
PubChem CID21153148
Molecular FormulaC17H37O5PS
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane
SMILESCCCCCCCCCSP(=O)(OCCOCC)OCCOCC
InChIInChI=1S/C17H37O5PS/c1-4-7-8-9-10-11-12-17-24-23(18,21-15-13-19-5-2)22-16-14-20-6-3/h4-17H2,1-3H3
InChIKeyQFVXHWJKQWSNLW-UHFFFAOYSA-N
XLogP5.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
decylsulfanylphosphonic acid
CID 21217457
1-dichlorophosphorylsulfanylhexane
CID 19915290
bis[2-(2-tridecoxyethoxy)ethyl] phosphate
CID 20977113
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane?
The IUPAC name of 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane (CID 21153148) is 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane.
What is the SMILES notation for 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane?
The canonical SMILES for 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane is CCCCCCCCCSP(=O)(OCCOCC)OCCOCC.
What is the InChIKey of 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane?
The InChIKey is QFVXHWJKQWSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37O5PS/c1-4-7-8-9-10-11-12-17-24-23(18,21-15-13-19-5-2)22-16-14-20-6-3/h4-17H2,1-3H3.
What are the key properties of 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane?
1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane has a molecular weight of 384.52 g/mol, XLogP of 5.68, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]nonane is sourced from PubChem (CID 21153148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).