(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene

C7H15O2P — CID 88857368

IUPAC(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene
SMILESCC/C=C/CP(C)(=O)OC
InChIInChI=1S/C7H15O2P/c1-4-5-6-7-10(3,8)9-2/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyOPCVMOXUBJHDQQ-AATRIKPKSA-N
MW162.17 g/mol
LogP2.51
Rot. Bonds4

About (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene

(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene (PubChem CID 88857368) has the molecular formula C7H15O2P and a molecular weight of 162.17 g/mol. Its IUPAC name is (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene.

Molecular Properties

Compound Name(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene
PubChem CID88857368
Molecular FormulaC7H15O2P
Molecular Weight162.17 g/mol
Exact Mass162.08
IUPAC Name(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene
SMILESCC/C=C/CP(C)(=O)OC
InChIInChI=1S/C7H15O2P/c1-4-5-6-7-10(3,8)9-2/h5-6H,4,7H2,1-3H3/b6-5+
InChIKeyOPCVMOXUBJHDQQ-AATRIKPKSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene?
The IUPAC name of (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene (CID 88857368) is (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene.
What is the SMILES notation for (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene?
The canonical SMILES for (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene is CC/C=C/CP(C)(=O)OC.
What is the InChIKey of (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene?
The InChIKey is OPCVMOXUBJHDQQ-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15O2P/c1-4-5-6-7-10(3,8)9-2/h5-6H,4,7H2,1-3H3/b6-5+.
What are the key properties of (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene?
(E)-1-[methoxy(methyl)phosphoryl]pent-2-ene has a molecular weight of 162.17 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[methoxy(methyl)phosphoryl]pent-2-ene is sourced from PubChem (CID 88857368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).