5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene

C10H18ClO3P — CID 87901590

IUPAC5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene
SMILESC=CCCCOP(=O)(Cl)OCCCC=C
InChIInChI=1S/C10H18ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyOZAFAVGTLIKFJM-UHFFFAOYSA-N
MW252.68 g/mol
LogP4.30
Rot. Bonds10

About 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene

5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene (PubChem CID 87901590) has the molecular formula C10H18ClO3P and a molecular weight of 252.68 g/mol. Its IUPAC name is 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene.

Molecular Properties

Compound Name5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene
PubChem CID87901590
Molecular FormulaC10H18ClO3P
Molecular Weight252.68 g/mol
Exact Mass252.07
IUPAC Name5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene
SMILESC=CCCCOP(=O)(Cl)OCCCC=C
InChIInChI=1S/C10H18ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-4H,1-2,5-10H2
InChIKeyOZAFAVGTLIKFJM-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene?
The IUPAC name of 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene (CID 87901590) is 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene.
What is the SMILES notation for 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene?
The canonical SMILES for 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene is C=CCCCOP(=O)(Cl)OCCCC=C.
What is the InChIKey of 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene?
The InChIKey is OZAFAVGTLIKFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClO3P/c1-3-5-7-9-13-15(11,12)14-10-8-6-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene?
5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene has a molecular weight of 252.68 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(pent-4-enoxy)phosphoryl]oxypent-1-ene is sourced from PubChem (CID 87901590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).