3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene

C11H22O2 — CID 57268449

IUPAC3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene
SMILESCCC(=C(COC)COC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-11(9(2)3)10(7-12-4)8-13-5/h9H,6-8H2,1-5H3
InChIKeyYYTGUIPCURPOHH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.64
Rot. Bonds6

About 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene

3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene (PubChem CID 57268449) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene.

Molecular Properties

Compound Name3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene
PubChem CID57268449
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene
SMILESCCC(=C(COC)COC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-11(9(2)3)10(7-12-4)8-13-5/h9H,6-8H2,1-5H3
InChIKeyYYTGUIPCURPOHH-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
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 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene?
The IUPAC name of 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene (CID 57268449) is 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene.
What is the SMILES notation for 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene?
The canonical SMILES for 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene is CCC(=C(COC)COC)C(C)C.
What is the InChIKey of 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene?
The InChIKey is YYTGUIPCURPOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-11(9(2)3)10(7-12-4)8-13-5/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene?
3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene has a molecular weight of 186.29 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-2-(methoxymethyl)-4-methylpent-2-ene is sourced from PubChem (CID 57268449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).