2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene

C17H28 — CID 139627561

IUPAC2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
SMILESCCCCC1CCC(C2=CCC(C)C=C2)CC1
InChIInChI=1S/C17H28/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h6,10-11,14-15,17H,3-5,7-9,12-13H2,1-2H3
InChIKeyAYDAPVAFLLUADK-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.51
Rot. Bonds4

About 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene

2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene (PubChem CID 139627561) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
PubChem CID139627561
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene
SMILESCCCCC1CCC(C2=CCC(C)C=C2)CC1
InChIInChI=1S/C17H28/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h6,10-11,14-15,17H,3-5,7-9,12-13H2,1-2H3
InChIKeyAYDAPVAFLLUADK-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2-(4-octylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56624612
5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 59015301
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene (CID 139627561) is 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene is CCCCC1CCC(C2=CCC(C)C=C2)CC1.
What is the InChIKey of 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene?
The InChIKey is AYDAPVAFLLUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16/h6,10-11,14-15,17H,3-5,7-9,12-13H2,1-2H3.
What are the key properties of 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene?
2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 139627561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).