5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene

C17H28O — CID 59015301

IUPAC5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C2=CCC(OCC)C=C2)CC1
InChIInChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-12,14-15,17H,3-9,13H2,1-2H3
InChIKeyWFBCDKAWRCVHCV-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.88
Rot. Bonds5

About 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene

5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene (PubChem CID 59015301) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene
PubChem CID59015301
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene
SMILESCCCC1CCC(C2=CCC(OCC)C=C2)CC1
InChIInChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-12,14-15,17H,3-9,13H2,1-2H3
InChIKeyWFBCDKAWRCVHCV-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-octylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56624612
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
CID 139627561
4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
2,5-bis(4-decylcyclohexyl)cyclohexa-1,3-diene
CID 139627557
5-(4-octylcyclohexyl)-2-(4-pentylcyclohexyl)cyclohexa-1,3-diene
CID 139627532
2-(4-decylcyclohexyl)-5-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 139627529
1,2,3-trifluoro-5-[4-(4-octylcyclohexyl)cyclohexa-2,4-dien-1-yl]benzene
CID 23197826
6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 135127678
4-butoxy-1-(4-propylcyclohexyl)cyclohexene
CID 139714691
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 19700194
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene (CID 59015301) is 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene is CCCC1CCC(C2=CCC(OCC)C=C2)CC1.
What is the InChIKey of 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene?
The InChIKey is WFBCDKAWRCVHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-12,14-15,17H,3-9,13H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene?
5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene has a molecular weight of 248.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene is sourced from PubChem (CID 59015301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).