5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene

C14H22O2 — CID 89081917

IUPAC5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene
SMILESC=CCCC(COCC1C=CC=CC1)OC
InChIInChI=1S/C14H22O2/c1-3-4-10-14(15-2)12-16-11-13-8-6-5-7-9-13/h3,5-8,13-14H,1,4,9-12H2,2H3
InChIKeyCCRWBPZTXQTPMK-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds8

About 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene

5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene (PubChem CID 89081917) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene
PubChem CID89081917
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene
SMILESC=CCCC(COCC1C=CC=CC1)OC
InChIInChI=1S/C14H22O2/c1-3-4-10-14(15-2)12-16-11-13-8-6-5-7-9-13/h3,5-8,13-14H,1,4,9-12H2,2H3
InChIKeyCCRWBPZTXQTPMK-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
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 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene (CID 89081917) is 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene is C=CCCC(COCC1C=CC=CC1)OC.
What is the InChIKey of 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene?
The InChIKey is CCRWBPZTXQTPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-4-10-14(15-2)12-16-11-13-8-6-5-7-9-13/h3,5-8,13-14H,1,4,9-12H2,2H3.
What are the key properties of 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene?
5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene has a molecular weight of 222.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyhex-5-enoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89081917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).