[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate

C13H25Cl2O5P — CID 53355774

IUPAC[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate
SMILESCC(C)OP(=O)(OC(C)C)[C@H](CCCCCl)OC(=O)CCl
InChIInChI=1S/C13H25Cl2O5P/c1-10(2)19-21(17,20-11(3)4)13(7-5-6-8-14)18-12(16)9-15/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyZODJDIQXQAVKHB-CYBMUJFWSA-N
MW363.22 g/mol
LogP4.55
Rot. Bonds11

About [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate

[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate (PubChem CID 53355774) has the molecular formula C13H25Cl2O5P and a molecular weight of 363.22 g/mol. Its IUPAC name is [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate.

Molecular Properties

Compound Name[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate
PubChem CID53355774
Molecular FormulaC13H25Cl2O5P
Molecular Weight363.22 g/mol
Exact Mass362.08
IUPAC Name[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate
SMILESCC(C)OP(=O)(OC(C)C)[C@H](CCCCCl)OC(=O)CCl
InChIInChI=1S/C13H25Cl2O5P/c1-10(2)19-21(17,20-11(3)4)13(7-5-6-8-14)18-12(16)9-15/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyZODJDIQXQAVKHB-CYBMUJFWSA-N
XLogP4.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobutan-2-yl 2-chloroacetate
CID 11521199
[5-bromo-1-di(propan-2-yloxy)phosphorylpentyl] methanesulfonate
CID 53355438
[(1R,2S)-1-chloro-1-diethoxyphosphorylpropan-2-yl] 2-chloroacetate
CID 11426764
propan-2-yl 4-chlorobutanoate
CID 527700
(3S)-7-chloro-3-methylheptan-2-one
CID 141061105
2-chloro-N-[di(propan-2-yloxy)phosphorylmethyl]acetamide
CID 54049884
(1S)-5-bromo-1-di(propan-2-yloxy)phosphorylpentan-1-ol
CID 53355770
1-diethoxyphosphorylbutyl propanoate
CID 71393420
4-chlorobutan-2-yl dihydrogen phosphate
CID 150088716
1-dimethoxyphosphorylprop-2-enyl 2-chloroacetate
CID 71365069
propan-2-yl 6,8-dichlorooctanoate
CID 168876049
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate?
The IUPAC name of [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate (CID 53355774) is [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate.
What is the SMILES notation for [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate?
The canonical SMILES for [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate is CC(C)OP(=O)(OC(C)C)[C@H](CCCCCl)OC(=O)CCl.
What is the InChIKey of [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate?
The InChIKey is ZODJDIQXQAVKHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25Cl2O5P/c1-10(2)19-21(17,20-11(3)4)13(7-5-6-8-14)18-12(16)9-15/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate?
[(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate has a molecular weight of 363.22 g/mol, XLogP of 4.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-chloro-1-di(propan-2-yloxy)phosphorylpentyl] 2-chloroacetate is sourced from PubChem (CID 53355774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).