2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane

C11H22ClO4P — CID 129387352

IUPAC2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESC=CCO[C@@](C)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22ClO4P/c1-7-8-14-11(6,12)17(13,15-9(2)3)16-10(4)5/h7,9-10H,1,8H2,2-6H3/t11-/m1/s1
InChIKeyYIDGCNWFPAFXLB-LLVKDONJSA-N
MW284.72 g/mol
LogP4.14
Rot. Bonds8

About 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane

2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane (PubChem CID 129387352) has the molecular formula C11H22ClO4P and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
PubChem CID129387352
Molecular FormulaC11H22ClO4P
Molecular Weight284.72 g/mol
Exact Mass284.09
IUPAC Name2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane
SMILESC=CCO[C@@](C)(Cl)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22ClO4P/c1-7-8-14-11(6,12)17(13,15-9(2)3)16-10(4)5/h7,9-10H,1,8H2,2-6H3/t11-/m1/s1
InChIKeyYIDGCNWFPAFXLB-LLVKDONJSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-[2-di(propan-2-yloxy)phosphorylpropan-2-yloxy]-3-methylbutane
CID 143869393
2-chloro-2-[fluoro(propan-2-yloxy)phosphoryl]propane
CID 151495462
di(propan-2-yloxy)-prop-2-enoxy-sulfanylidene-λ5-phosphane
CID 54040298
(3S,5R)-2,3,5,6-tetramethyl-3-prop-2-enoxyheptane
CID 59926274
2-[ethoxy(propan-2-yloxy)phosphoryl]propan-2-ol
CID 12012614
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
3-(2-dichlorophosphoryloxypropoxy)-3-methylbut-1-ene
CID 175353280
2-[propan-2-ylsulfanyl(prop-2-enyl)phosphoryl]oxypropane
CID 88761277
2-dimethylphosphoryloxypropane
CID 12572720
butan-2-yl 2,2-dichloro-2-di(propan-2-yloxy)phosphorylacetate
CID 23336335
2-methyl-2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
CID 171057571
(3R)-3-[chloro(methyl)phosphoryl]oxy-2,2-dimethylbutane
CID 129373323

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane?
The IUPAC name of 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane (CID 129387352) is 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane?
The canonical SMILES for 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane is C=CCO[C@@](C)(Cl)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane?
The InChIKey is YIDGCNWFPAFXLB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22ClO4P/c1-7-8-14-11(6,12)17(13,15-9(2)3)16-10(4)5/h7,9-10H,1,8H2,2-6H3/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane?
2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane has a molecular weight of 284.72 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-chloro-1-prop-2-enoxyethyl]-propan-2-yloxyphosphoryl]oxypropane is sourced from PubChem (CID 129387352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).