1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one

C26H36O — CID 59695799

IUPAC1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(C2CCC(C=CC3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H36O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26(27)4-2/h4,10-11,16-23H,2-3,5-9,12-15H2,1H3
InChIKeyDAHCRDKXQWFIOW-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.49
Rot. Bonds7

About 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one

1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one (PubChem CID 59695799) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
PubChem CID59695799
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(C2CCC(C=CC3CCC(CCC)CC3)CC2)cc1
InChIInChI=1S/C26H36O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26(27)4-2/h4,10-11,16-23H,2-3,5-9,12-15H2,1H3
InChIKeyDAHCRDKXQWFIOW-UHFFFAOYSA-N
XLogP7.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-propylcyclohexane;1-[4-(4-fluorocyclohexyl)phenyl]prop-2-en-1-one
CID 91356549
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
1-[4-[2-[[4-(4-propylcyclohexyl)phenoxy]methoxy]ethynyl]phenyl]prop-2-en-1-one
CID 59695954
1-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]prop-2-en-1-one
CID 59695704
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
CID 134244970
1-(4-ethenylcyclohexyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 173068049
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
CID 59695761
4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
2-bromo-2-methyl-1-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]propan-1-one
CID 22929005
1-[4-(4-propylcyclohexyl)phenyl]hexane-1,3-dione
CID 20503141
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one (CID 59695799) is 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one is C=CC(=O)c1ccc(C2CCC(C=CC3CCC(CCC)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one?
The InChIKey is DAHCRDKXQWFIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)26(27)4-2/h4,10-11,16-23H,2-3,5-9,12-15H2,1H3.
What are the key properties of 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one?
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one has a molecular weight of 364.57 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 59695799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).