[(E,2R)-4-ethoxypent-3-en-2-yl]benzene

C13H18O — CID 59915630

IUPAC[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
SMILESCCO/C(C)=C/[C@@H](C)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-10+/t11-/m1/s1
InChIKeyXHKKPJYGWBXJPZ-KPMWUXBGSA-N
MW190.29 g/mol
LogP3.73
Rot. Bonds4

About [(E,2R)-4-ethoxypent-3-en-2-yl]benzene

[(E,2R)-4-ethoxypent-3-en-2-yl]benzene (PubChem CID 59915630) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is [(E,2R)-4-ethoxypent-3-en-2-yl]benzene.

Molecular Properties

Compound Name[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
PubChem CID59915630
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name[(E,2R)-4-ethoxypent-3-en-2-yl]benzene
SMILESCCO/C(C)=C/[C@@H](C)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-10+/t11-/m1/s1
InChIKeyXHKKPJYGWBXJPZ-KPMWUXBGSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E,2R)-4-ethoxypent-3-en-2-yl]benzene?
The IUPAC name of [(E,2R)-4-ethoxypent-3-en-2-yl]benzene (CID 59915630) is [(E,2R)-4-ethoxypent-3-en-2-yl]benzene.
What is the SMILES notation for [(E,2R)-4-ethoxypent-3-en-2-yl]benzene?
The canonical SMILES for [(E,2R)-4-ethoxypent-3-en-2-yl]benzene is CCO/C(C)=C/[C@@H](C)c1ccccc1.
What is the InChIKey of [(E,2R)-4-ethoxypent-3-en-2-yl]benzene?
The InChIKey is XHKKPJYGWBXJPZ-KPMWUXBGSA-N. The full InChI is InChI=1S/C13H18O/c1-4-14-12(3)10-11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3/b12-10+/t11-/m1/s1.
What are the key properties of [(E,2R)-4-ethoxypent-3-en-2-yl]benzene?
[(E,2R)-4-ethoxypent-3-en-2-yl]benzene has a molecular weight of 190.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-4-ethoxypent-3-en-2-yl]benzene is sourced from PubChem (CID 59915630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).