3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one

C16H22O2 — CID 170693866

IUPAC3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one
SMILESC=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C1O
InChIInChI=1S/C16H22O2/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13,17H,1-4,9-12H2
InChIKeyXHLSLUMCJLWPIQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.21
Rot. Bonds8

About 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one

3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one (PubChem CID 170693866) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one
PubChem CID170693866
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one
SMILESC=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C1O
InChIInChI=1S/C16H22O2/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13,17H,1-4,9-12H2
InChIKeyXHLSLUMCJLWPIQ-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-hydroxy-5-methyl-2,2-bis(prop-2-enyl)cyclohexan-1-one;5-methyl-2,2-bis(prop-2-enyl)cyclohexane-1,3-dione
CID 157209880
(1R,4S)-3,3-bis(prop-2-enyl)bicyclo[2.2.1]heptan-2-one
CID 164833479
3-amino-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-ol
CID 70371914
3-hydroxy-5-phenyl-2,2-bis(prop-2-enyl)cyclohexan-1-one
CID 155676403
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
CID 134978464
CID 134978464
(3R,4S)-3-benzyl-4-hydroxy-3-prop-2-enyloxolan-2-one
CID 57342184
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
(4S,5R)-2,5-dichloro-4-hydroxy-3-iodo-5-prop-2-enylcyclopent-2-en-1-one
CID 15326072
trans-(2R,3S)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 11229012
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
(4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-prop-2-enyl-1,3-dioxan-2-one
CID 130831875

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one?
The IUPAC name of 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one (CID 170693866) is 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one.
What is the SMILES notation for 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one?
The canonical SMILES for 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one is C=CCC1(CC=C)C(=O)C(CC=C)(CC=C)C1O.
What is the InChIKey of 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one?
The InChIKey is XHLSLUMCJLWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-5-9-15(10-6-2)13(17)16(11-7-3,12-8-4)14(15)18/h5-8,13,17H,1-4,9-12H2.
What are the key properties of 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one?
3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4-tetrakis(prop-2-enyl)cyclobutan-1-one is sourced from PubChem (CID 170693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).