2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one

C20H26O2 — CID 10566011

IUPAC2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(c2ccccc2)C(=O)C(C(C)CC)=C1OC(C)C
InChIInChI=1S/C20H26O2/c1-6-13-20(16-11-9-8-10-12-16)18(21)17(15(5)7-2)19(20)22-14(3)4/h6,8-12,14-15H,1,7,13H2,2-5H3
InChIKeyQFNDKUQREDDCOB-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.81
Rot. Bonds7

About 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one

2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one (PubChem CID 10566011) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one
PubChem CID10566011
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one
SMILESC=CCC1(c2ccccc2)C(=O)C(C(C)CC)=C1OC(C)C
InChIInChI=1S/C20H26O2/c1-6-13-20(16-11-9-8-10-12-16)18(21)17(15(5)7-2)19(20)22-14(3)4/h6,8-12,14-15H,1,7,13H2,2-5H3
InChIKeyQFNDKUQREDDCOB-UHFFFAOYSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
5-ethyl-5-phenyl-6-propan-2-yloxypyrimidine-2,4-dione
CID 3069867
3-methyl-4-phenyl-4-prop-2-enyl-1,2-oxazol-5-one
CID 102228138
5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3026925
4-butan-2-yl-4-hydroxy-2-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10061911
2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
CID 102577871
5-ethyl-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033297
2-butyl-4-hydroperoxy-3-propan-2-yloxy-4-prop-2-enylnaphthalen-1-one
CID 10568430
prop-2-enyl (2S,3S)-2-(benzenesulfonamido)-3-methylpentanoate
CID 139807925
[4-oxo-2-propan-2-yloxy-1-prop-2-enyl-3-(trifluoromethyl)cyclobut-2-en-1-yl] acetate
CID 132507514
ethoxyethane;bis(3-ethoxyprop-1-ene);2-methylpropane;naphthalene;propane
CID 159120641
(3R)-1-methyl-3-phenyl-3-prop-2-enylindole-2-thione
CID 124861499

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one?
The IUPAC name of 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one (CID 10566011) is 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one.
What is the SMILES notation for 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one?
The canonical SMILES for 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one is C=CCC1(c2ccccc2)C(=O)C(C(C)CC)=C1OC(C)C.
What is the InChIKey of 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one?
The InChIKey is QFNDKUQREDDCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-13-20(16-11-9-8-10-12-16)18(21)17(15(5)7-2)19(20)22-14(3)4/h6,8-12,14-15H,1,7,13H2,2-5H3.
What are the key properties of 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one?
2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one has a molecular weight of 298.43 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one is sourced from PubChem (CID 10566011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).