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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene
CID 134448309
2-(2-Ethylhexoxy)-5,6-bis(fluoromethyl)-5-methoxycyclohexa-1,3-diene
CID 140437635
3-(3-Cyclohexylpropoxy)-1,5-difluoro-6-methylcyclohexa-1,3-diene
CID 141896225
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 144714605
1-[[(3Z)-3,4-difluoro-5-methoxyhexa-1,3,5-trien-2-yl]oxymethyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 145326296
6-(Cyclohexylmethoxy)-2,6-difluorocyclohexa-1,3-diene
CID 173067766
6-Ethoxy-1,6-difluoro-2-[[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methoxy]cyclohexa-1,3-diene
CID 175408899
1,5-Difluoro-2-[(4-hex-4-en-2-ylcyclohex-3-en-1-yl)methoxy]-5-methoxycyclohexa-1,3-diene
CID 175408902
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 12023486
1,3,5-Trimethoxy-5-methyl-2-[(1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]benzene
CID 129858259
(2R,6S)-2-cyclohexyl-6-methyl-3,6-dihydro-2H-pyran
CID 131845051
2-cyclohex-2-en-1-yl-4-methyl-2H-pyran
CID 53438111

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).