5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene

C17H26O2 — CID 69280287

IUPAC5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene
SMILESC=CC1(OCC2CCCCC2)C=CC(OCC)=CC1
InChIInChI=1S/C17H26O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,10-12,15H,1,4-9,13-14H2,2H3
InChIKeyGMVFZVYWOVTINM-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.39
Rot. Bonds6

About 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene

5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene (PubChem CID 69280287) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene
PubChem CID69280287
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene
SMILESC=CC1(OCC2CCCCC2)C=CC(OCC)=CC1
InChIInChI=1S/C17H26O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,10-12,15H,1,4-9,13-14H2,2H3
InChIKeyGMVFZVYWOVTINM-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.39
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-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene?
The IUPAC name of 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene (CID 69280287) is 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene is C=CC1(OCC2CCCCC2)C=CC(OCC)=CC1.
What is the InChIKey of 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene?
The InChIKey is GMVFZVYWOVTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,10-12,15H,1,4-9,13-14H2,2H3.
What are the key properties of 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene?
5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene has a molecular weight of 262.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-5-ethenyl-2-ethoxycyclohexa-1,3-diene is sourced from PubChem (CID 69280287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).