5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene

C18H28O — CID 139960072

IUPAC5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene
SMILESCCCCC1(C=COC2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H28O/c1-2-3-12-18(13-8-5-9-14-18)15-16-19-17-10-6-4-7-11-17/h5,8-9,13,15-17H,2-4,6-7,10-12,14H2,1H3
InChIKeyNQIOZMFOTWCSFY-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.54
Rot. Bonds6

About 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene

5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene (PubChem CID 139960072) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene
PubChem CID139960072
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene
SMILESCCCCC1(C=COC2CCCCC2)C=CC=CC1
InChIInChI=1S/C18H28O/c1-2-3-12-18(13-8-5-9-14-18)15-16-19-17-10-6-4-7-11-17/h5,8-9,13,15-17H,2-4,6-7,10-12,14H2,1H3
InChIKeyNQIOZMFOTWCSFY-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(1-hexylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 140676685
(1-butylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 150403255
dimethyl 2-[(1-pentylcyclohexa-2,4-dien-1-yl)methylidene]propanedioate
CID 137373887
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
CID 141230573
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
tributyl(cyclohexyloxy)phosphanium
CID 23415292
[(E)-prop-1-enoxy]cyclododecane
CID 5374044
5-cyclohexyl-5-(hydroperoxymethyl)cyclohexa-1,3-diene
CID 22590644
[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
CID 141254787
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
3-cyclohexyl-3-pentylcyclohexa-1,4-diene
CID 173011967
heptane;methoxycyclopentane
CID 131735357

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene?
The IUPAC name of 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene (CID 139960072) is 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene is CCCCC1(C=COC2CCCCC2)C=CC=CC1.
What is the InChIKey of 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene?
The InChIKey is NQIOZMFOTWCSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-12-18(13-8-5-9-14-18)15-16-19-17-10-6-4-7-11-17/h5,8-9,13,15-17H,2-4,6-7,10-12,14H2,1H3.
What are the key properties of 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene?
5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene has a molecular weight of 260.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 139960072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).