2-ethoxy-3-methylidenepent-1-ene

C8H14O — CID 19689735

IUPAC2-ethoxy-3-methylidenepent-1-ene
SMILESC=C(CC)C(=C)OCC
InChIInChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h3-6H2,1-2H3
InChIKeyUNBLCMHLEQHORH-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds4

About 2-ethoxy-3-methylidenepent-1-ene

2-ethoxy-3-methylidenepent-1-ene (PubChem CID 19689735) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-ethoxy-3-methylidenepent-1-ene.

Molecular Properties

Compound Name2-ethoxy-3-methylidenepent-1-ene
PubChem CID19689735
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-ethoxy-3-methylidenepent-1-ene
SMILESC=C(CC)C(=C)OCC
InChIInChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h3-6H2,1-2H3
InChIKeyUNBLCMHLEQHORH-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylidenepent-1-ene?
The IUPAC name of 2-ethoxy-3-methylidenepent-1-ene (CID 19689735) is 2-ethoxy-3-methylidenepent-1-ene.
What is the SMILES notation for 2-ethoxy-3-methylidenepent-1-ene?
The canonical SMILES for 2-ethoxy-3-methylidenepent-1-ene is C=C(CC)C(=C)OCC.
What is the InChIKey of 2-ethoxy-3-methylidenepent-1-ene?
The InChIKey is UNBLCMHLEQHORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-7(3)8(4)9-6-2/h3-6H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylidenepent-1-ene?
2-ethoxy-3-methylidenepent-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylidenepent-1-ene is sourced from PubChem (CID 19689735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).