2-ethoxypent-1-ene

C7H14O — CID 18509541

IUPAC2-ethoxypent-1-ene
SMILESC=C(CCC)OCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h3-6H2,1-2H3
InChIKeyGMUDRBHPZNOVLS-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

About 2-ethoxypent-1-ene

2-ethoxypent-1-ene (PubChem CID 18509541) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-ethoxypent-1-ene.

Molecular Properties

Compound Name2-ethoxypent-1-ene
PubChem CID18509541
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-ethoxypent-1-ene
SMILESC=C(CCC)OCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h3-6H2,1-2H3
InChIKeyGMUDRBHPZNOVLS-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
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 2-ethoxypent-1-ene?
The IUPAC name of 2-ethoxypent-1-ene (CID 18509541) is 2-ethoxypent-1-ene.
What is the SMILES notation for 2-ethoxypent-1-ene?
The canonical SMILES for 2-ethoxypent-1-ene is C=C(CCC)OCC.
What is the InChIKey of 2-ethoxypent-1-ene?
The InChIKey is GMUDRBHPZNOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h3-6H2,1-2H3.
What are the key properties of 2-ethoxypent-1-ene?
2-ethoxypent-1-ene has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypent-1-ene is sourced from PubChem (CID 18509541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).