5-(ethoxymethoxy)-1-prop-2-enylcyclopentene

C11H18O2 — CID 86034407

IUPAC5-(ethoxymethoxy)-1-prop-2-enylcyclopentene
SMILESC=CCC1=CCCC1OCOCC
InChIInChI=1S/C11H18O2/c1-3-6-10-7-5-8-11(10)13-9-12-4-2/h3,7,11H,1,4-6,8-9H2,2H3
InChIKeyBHJMDESCOZVCPA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds6

About 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene

5-(ethoxymethoxy)-1-prop-2-enylcyclopentene (PubChem CID 86034407) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene.

Molecular Properties

Compound Name5-(ethoxymethoxy)-1-prop-2-enylcyclopentene
PubChem CID86034407
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name5-(ethoxymethoxy)-1-prop-2-enylcyclopentene
SMILESC=CCC1=CCCC1OCOCC
InChIInChI=1S/C11H18O2/c1-3-6-10-7-5-8-11(10)13-9-12-4-2/h3,7,11H,1,4-6,8-9H2,2H3
InChIKeyBHJMDESCOZVCPA-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene?
The IUPAC name of 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene (CID 86034407) is 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene.
What is the SMILES notation for 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene?
The canonical SMILES for 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene is C=CCC1=CCCC1OCOCC.
What is the InChIKey of 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene?
The InChIKey is BHJMDESCOZVCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-6-10-7-5-8-11(10)13-9-12-4-2/h3,7,11H,1,4-6,8-9H2,2H3.
What are the key properties of 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene?
5-(ethoxymethoxy)-1-prop-2-enylcyclopentene has a molecular weight of 182.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethoxy)-1-prop-2-enylcyclopentene is sourced from PubChem (CID 86034407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).