[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate

C14H25O5P — CID 135037236

IUPAC[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CP(=O)(OC(C)C)OC(C)C)C1
InChIInChI=1S/C14H25O5P/c1-10(2)18-20(16,19-11(3)4)9-13-6-7-14(8-13)17-12(5)15/h6-7,10-11,13-14H,8-9H2,1-5H3/t13-,14+/m1/s1
InChIKeyLZEACHRWICEYCF-KGLIPLIRSA-N
MW304.32 g/mol
LogP3.54
Rot. Bonds7

About [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate (PubChem CID 135037236) has the molecular formula C14H25O5P and a molecular weight of 304.32 g/mol. Its IUPAC name is [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate
PubChem CID135037236
Molecular FormulaC14H25O5P
Molecular Weight304.32 g/mol
Exact Mass304.14
IUPAC Name[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CP(=O)(OC(C)C)OC(C)C)C1
InChIInChI=1S/C14H25O5P/c1-10(2)18-20(16,19-11(3)4)9-13-6-7-14(8-13)17-12(5)15/h6-7,10-11,13-14H,8-9H2,1-5H3/t13-,14+/m1/s1
InChIKeyLZEACHRWICEYCF-KGLIPLIRSA-N
XLogP3.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.54
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'}

Analyze [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate (CID 135037236) is [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](CP(=O)(OC(C)C)OC(C)C)C1.
What is the InChIKey of [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate?
The InChIKey is LZEACHRWICEYCF-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H25O5P/c1-10(2)18-20(16,19-11(3)4)9-13-6-7-14(8-13)17-12(5)15/h6-7,10-11,13-14H,8-9H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate has a molecular weight of 304.32 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[di(propan-2-yloxy)phosphorylmethyl]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 135037236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).