1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane

C9H19O3PS — CID 57288582

IUPAC1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
SMILESC=CCSP(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3PS/c1-4-7-11-13(10,12-8-5-2)14-9-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyJEIDIDGDHBRROA-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.87
Rot. Bonds9

About 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane

1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane (PubChem CID 57288582) has the molecular formula C9H19O3PS and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
PubChem CID57288582
Molecular FormulaC9H19O3PS
Molecular Weight238.29 g/mol
Exact Mass238.08
IUPAC Name1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
SMILESC=CCSP(=O)(OCCC)OCCC
InChIInChI=1S/C9H19O3PS/c1-4-7-11-13(10,12-8-5-2)14-9-6-3/h6H,3-5,7-9H2,1-2H3
InChIKeyJEIDIDGDHBRROA-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
4-[fluoro-[[fluoro(propoxy)phosphoryl]amino]phosphoryl]oxybut-1-ene
CID 155207384
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866
1-[decoxy(octylsulfanyl)phosphoryl]oxydecane
CID 88718944
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
1-[heptoxy(prop-2-enyl)phosphoryl]oxyheptane
CID 176894700
1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
CID 54567675
(E)-1-diethoxyphosphorylsulfanyl-5-methoxy-3-methylpent-2-ene
CID 13181464
but-1-ene;methoxy propyl hydrogen phosphate
CID 158547770
1-diethoxyphosphorylsulfanylbut-3-en-2-one
CID 24978000
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855

Frequently Asked Questions

What is the IUPAC name of 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane?
The IUPAC name of 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane (CID 57288582) is 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane.
What is the SMILES notation for 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane?
The canonical SMILES for 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane is C=CCSP(=O)(OCCC)OCCC.
What is the InChIKey of 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane?
The InChIKey is JEIDIDGDHBRROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3PS/c1-4-7-11-13(10,12-8-5-2)14-9-6-3/h6H,3-5,7-9H2,1-2H3.
What are the key properties of 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane?
1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane has a molecular weight of 238.29 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane is sourced from PubChem (CID 57288582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).