4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene

C13H25O3P — CID 15667258

IUPAC4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene
SMILESCC(C)OP(=O)(CCC1CC=CC1)OC(C)C
InChIInChI=1S/C13H25O3P/c1-11(2)15-17(14,16-12(3)4)10-9-13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeyWMWLLESODXSMCB-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.39
Rot. Bonds7

About 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene

4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene (PubChem CID 15667258) has the molecular formula C13H25O3P and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene.

Molecular Properties

Compound Name4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene
PubChem CID15667258
Molecular FormulaC13H25O3P
Molecular Weight260.31 g/mol
Exact Mass260.15
IUPAC Name4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene
SMILESCC(C)OP(=O)(CCC1CC=CC1)OC(C)C
InChIInChI=1S/C13H25O3P/c1-11(2)15-17(14,16-12(3)4)10-9-13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3
InChIKeyWMWLLESODXSMCB-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene?
The IUPAC name of 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene (CID 15667258) is 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene.
What is the SMILES notation for 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene?
The canonical SMILES for 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene is CC(C)OP(=O)(CCC1CC=CC1)OC(C)C.
What is the InChIKey of 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene?
The InChIKey is WMWLLESODXSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O3P/c1-11(2)15-17(14,16-12(3)4)10-9-13-7-5-6-8-13/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene?
4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene has a molecular weight of 260.31 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-di(propan-2-yloxy)phosphorylethyl]cyclopentene is sourced from PubChem (CID 15667258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).