3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene

C10H20O2 — CID 56978434

IUPAC3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene
SMILESCCC(CC)=C(COC)COC
InChIInChI=1S/C10H20O2/c1-5-9(6-2)10(7-11-3)8-12-4/h5-8H2,1-4H3
InChIKeyGVCLQYNPSSAOAT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.40
Rot. Bonds6

About 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene

3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene (PubChem CID 56978434) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene.

Molecular Properties

Compound Name3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene
PubChem CID56978434
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene
SMILESCCC(CC)=C(COC)COC
InChIInChI=1S/C10H20O2/c1-5-9(6-2)10(7-11-3)8-12-4/h5-8H2,1-4H3
InChIKeyGVCLQYNPSSAOAT-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 140969720
CID 140969720
CID 11446903
CID 11446903
CID 134903619
CID 134903619
CID 19985307
CID 19985307
CID 21134687
CID 21134687
CID 57051731
CID 57051731
CID 57115596
CID 57115596
CID 57145563
CID 57145563
CID 57264442
CID 57264442
CID 57268449
CID 57268449
CID 68493704
CID 68493704
CID 89992177
CID 89992177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene?
The IUPAC name of 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene (CID 56978434) is 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene.
What is the SMILES notation for 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene?
The canonical SMILES for 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene is CCC(CC)=C(COC)COC.
What is the InChIKey of 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene?
The InChIKey is GVCLQYNPSSAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9(6-2)10(7-11-3)8-12-4/h5-8H2,1-4H3.
What are the key properties of 3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene?
3-ethyl-1-methoxy-2-(methoxymethyl)pent-2-ene has a molecular weight of 172.27 g/mol, XLogP of 2.40, 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)pent-2-ene is sourced from PubChem (CID 56978434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).