2-[(E)-pent-3-en-2-yl]oxyethanol

C7H14O2 — CID 10796766

IUPAC2-[(E)-pent-3-en-2-yl]oxyethanol
SMILESC/C=C/C(C)OCCO
InChIInChI=1S/C7H14O2/c1-3-4-7(2)9-6-5-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyIOPOHXQLTPEGMC-ONEGZZNKSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 2-[(E)-pent-3-en-2-yl]oxyethanol

2-[(E)-pent-3-en-2-yl]oxyethanol (PubChem CID 10796766) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-[(E)-pent-3-en-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(E)-pent-3-en-2-yl]oxyethanol
PubChem CID10796766
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-[(E)-pent-3-en-2-yl]oxyethanol
SMILESC/C=C/C(C)OCCO
InChIInChI=1S/C7H14O2/c1-3-4-7(2)9-6-5-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyIOPOHXQLTPEGMC-ONEGZZNKSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-3-en-2-yl]oxyethanol?
The IUPAC name of 2-[(E)-pent-3-en-2-yl]oxyethanol (CID 10796766) is 2-[(E)-pent-3-en-2-yl]oxyethanol.
What is the SMILES notation for 2-[(E)-pent-3-en-2-yl]oxyethanol?
The canonical SMILES for 2-[(E)-pent-3-en-2-yl]oxyethanol is C/C=C/C(C)OCCO.
What is the InChIKey of 2-[(E)-pent-3-en-2-yl]oxyethanol?
The InChIKey is IOPOHXQLTPEGMC-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7(2)9-6-5-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-pent-3-en-2-yl]oxyethanol?
2-[(E)-pent-3-en-2-yl]oxyethanol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-en-2-yl]oxyethanol is sourced from PubChem (CID 10796766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).