(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene

C11H23O4PS — CID 13181464

IUPAC(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
SMILESCCOP(=O)(OCC)SC/C=C(\C)CCOC
InChIInChI=1S/C11H23O4PS/c1-5-14-16(12,15-6-2)17-10-8-11(3)7-9-13-4/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyRNUSJCMZEWLNPM-DHZHZOJOSA-N
MW282.34 g/mol
LogP3.88
Rot. Bonds10

About (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene

(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene (PubChem CID 13181464) has the molecular formula C11H23O4PS and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
PubChem CID13181464
Molecular FormulaC11H23O4PS
Molecular Weight282.34 g/mol
Exact Mass282.11
IUPAC Name(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
SMILESCCOP(=O)(OCC)SC/C=C(\C)CCOC
InChIInChI=1S/C11H23O4PS/c1-5-14-16(12,15-6-2)17-10-8-11(3)7-9-13-4/h8H,5-7,9-10H2,1-4H3/b11-8+
InChIKeyRNUSJCMZEWLNPM-DHZHZOJOSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(prop-2-enylsulfanyl)phosphoryl]oxyethanol
CID 88761264
1-diethoxyphosphorylsulfanyl-4-methylpent-3-en-2-one
CID 100979056
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
(E)-1-chloro-5-methoxy-3-methylpent-2-ene
CID 13181461
methyl 3-diethoxyphosphorylsulfanylpropanoate
CID 12524678
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
1-diethoxyphosphorylsulfanylbut-3-en-2-one
CID 24978000
1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
CID 57288582
1-diethoxyphosphorylsulfanyl-2-methylsulfanylethane
CID 24841778
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 139611461
phosphonooxy-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylphosphinic acid
CID 163410076

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene?
The IUPAC name of (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene (CID 13181464) is (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene is CCOP(=O)(OCC)SC/C=C(\C)CCOC.
What is the InChIKey of (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene?
The InChIKey is RNUSJCMZEWLNPM-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H23O4PS/c1-5-14-16(12,15-6-2)17-10-8-11(3)7-9-13-4/h8H,5-7,9-10H2,1-4H3/b11-8+.
What are the key properties of (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene?
(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene has a molecular weight of 282.34 g/mol, XLogP of 3.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene is sourced from PubChem (CID 13181464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).