(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene

C10H19O2P — CID 138751198

IUPAC(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene
SMILESC=C(C)P(=O)(OCC)C(C)/C=C/C
InChIInChI=1S/C10H19O2P/c1-6-8-10(5)13(11,9(3)4)12-7-2/h6,8,10H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyACILVVDVJUJNNT-SOFGYWHQSA-N
MW202.23 g/mol
LogP3.80
Rot. Bonds5

About (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene

(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene (PubChem CID 138751198) has the molecular formula C10H19O2P and a molecular weight of 202.23 g/mol. Its IUPAC name is (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene.

Molecular Properties

Compound Name(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene
PubChem CID138751198
Molecular FormulaC10H19O2P
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene
SMILESC=C(C)P(=O)(OCC)C(C)/C=C/C
InChIInChI=1S/C10H19O2P/c1-6-8-10(5)13(11,9(3)4)12-7-2/h6,8,10H,3,7H2,1-2,4-5H3/b8-6+
InChIKeyACILVVDVJUJNNT-SOFGYWHQSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.80
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)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene?
The IUPAC name of (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene (CID 138751198) is (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene.
What is the SMILES notation for (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene?
The canonical SMILES for (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene is C=C(C)P(=O)(OCC)C(C)/C=C/C.
What is the InChIKey of (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene?
The InChIKey is ACILVVDVJUJNNT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19O2P/c1-6-8-10(5)13(11,9(3)4)12-7-2/h6,8,10H,3,7H2,1-2,4-5H3/b8-6+.
What are the key properties of (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene?
(E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene has a molecular weight of 202.23 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[ethoxy(prop-1-en-2-yl)phosphoryl]pent-2-ene is sourced from PubChem (CID 138751198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).