3-ethoxy-2-methylhept-2-ene

C10H20O — CID 131861607

IUPAC3-ethoxy-2-methylhept-2-ene
SMILESCCCCC(OCC)=C(C)C
InChIInChI=1S/C10H20O/c1-5-7-8-10(9(3)4)11-6-2/h5-8H2,1-4H3
InChIKeyAGTZRSHOYMWRJP-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds5

About 3-ethoxy-2-methylhept-2-ene

3-ethoxy-2-methylhept-2-ene (PubChem CID 131861607) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-ethoxy-2-methylhept-2-ene.

Molecular Properties

Compound Name3-ethoxy-2-methylhept-2-ene
PubChem CID131861607
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-ethoxy-2-methylhept-2-ene
SMILESCCCCC(OCC)=C(C)C
InChIInChI=1S/C10H20O/c1-5-7-8-10(9(3)4)11-6-2/h5-8H2,1-4H3
InChIKeyAGTZRSHOYMWRJP-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
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 3-ethoxy-2-methylhept-2-ene?
The IUPAC name of 3-ethoxy-2-methylhept-2-ene (CID 131861607) is 3-ethoxy-2-methylhept-2-ene.
What is the SMILES notation for 3-ethoxy-2-methylhept-2-ene?
The canonical SMILES for 3-ethoxy-2-methylhept-2-ene is CCCCC(OCC)=C(C)C.
What is the InChIKey of 3-ethoxy-2-methylhept-2-ene?
The InChIKey is AGTZRSHOYMWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-8-10(9(3)4)11-6-2/h5-8H2,1-4H3.
What are the key properties of 3-ethoxy-2-methylhept-2-ene?
3-ethoxy-2-methylhept-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methylhept-2-ene is sourced from PubChem (CID 131861607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).