6-(ethoxymethoxy)-1-prop-2-enylcyclohexene

C12H20O2 — CID 86034416

IUPAC6-(ethoxymethoxy)-1-prop-2-enylcyclohexene
SMILESC=CCC1=CCCCC1OCOCC
InChIInChI=1S/C12H20O2/c1-3-7-11-8-5-6-9-12(11)14-10-13-4-2/h3,8,12H,1,4-7,9-10H2,2H3
InChIKeyBESWNQZYUQWZTA-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.05
Rot. Bonds6

About 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene

6-(ethoxymethoxy)-1-prop-2-enylcyclohexene (PubChem CID 86034416) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene.

Molecular Properties

Compound Name6-(ethoxymethoxy)-1-prop-2-enylcyclohexene
PubChem CID86034416
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-(ethoxymethoxy)-1-prop-2-enylcyclohexene
SMILESC=CCC1=CCCCC1OCOCC
InChIInChI=1S/C12H20O2/c1-3-7-11-8-5-6-9-12(11)14-10-13-4-2/h3,8,12H,1,4-7,9-10H2,2H3
InChIKeyBESWNQZYUQWZTA-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.05
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 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene?
The IUPAC name of 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene (CID 86034416) is 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene.
What is the SMILES notation for 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene?
The canonical SMILES for 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene is C=CCC1=CCCCC1OCOCC.
What is the InChIKey of 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene?
The InChIKey is BESWNQZYUQWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-7-11-8-5-6-9-12(11)14-10-13-4-2/h3,8,12H,1,4-7,9-10H2,2H3.
What are the key properties of 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene?
6-(ethoxymethoxy)-1-prop-2-enylcyclohexene has a molecular weight of 196.29 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethoxy)-1-prop-2-enylcyclohexene is sourced from PubChem (CID 86034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).