4,4-bis(prop-1-enoxymethyl)cyclohexene

C14H22O2 — CID 139896269

IUPAC4,4-bis(prop-1-enoxymethyl)cyclohexene
SMILESCC=COCC1(COC=CC)CC=CCC1
InChIInChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6,10-11H,7-9,12-13H2,1-2H3
InChIKeyFBNKVSXXHIMRBY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.81
Rot. Bonds6

About 4,4-bis(prop-1-enoxymethyl)cyclohexene

4,4-bis(prop-1-enoxymethyl)cyclohexene (PubChem CID 139896269) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4,4-bis(prop-1-enoxymethyl)cyclohexene.

Molecular Properties

Compound Name4,4-bis(prop-1-enoxymethyl)cyclohexene
PubChem CID139896269
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4,4-bis(prop-1-enoxymethyl)cyclohexene
SMILESCC=COCC1(COC=CC)CC=CCC1
InChIInChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6,10-11H,7-9,12-13H2,1-2H3
InChIKeyFBNKVSXXHIMRBY-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(prop-1-enoxymethyl)cyclohexene?
The IUPAC name of 4,4-bis(prop-1-enoxymethyl)cyclohexene (CID 139896269) is 4,4-bis(prop-1-enoxymethyl)cyclohexene.
What is the SMILES notation for 4,4-bis(prop-1-enoxymethyl)cyclohexene?
The canonical SMILES for 4,4-bis(prop-1-enoxymethyl)cyclohexene is CC=COCC1(COC=CC)CC=CCC1.
What is the InChIKey of 4,4-bis(prop-1-enoxymethyl)cyclohexene?
The InChIKey is FBNKVSXXHIMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-10-15-12-14(13-16-11-4-2)8-6-5-7-9-14/h3-6,10-11H,7-9,12-13H2,1-2H3.
What are the key properties of 4,4-bis(prop-1-enoxymethyl)cyclohexene?
4,4-bis(prop-1-enoxymethyl)cyclohexene has a molecular weight of 222.33 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(prop-1-enoxymethyl)cyclohexene is sourced from PubChem (CID 139896269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).