1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one

C13H20O2 — CID 138975442

IUPAC1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
SMILESC=CCC1(O)CCCCC1C(=O)C(=C)C
InChIInChI=1S/C13H20O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,11,15H,1-2,5-9H2,3H3
InChIKeyARJQFWKGJQDBQW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.63
Rot. Bonds4

About 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one

1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one (PubChem CID 138975442) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
PubChem CID138975442
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
SMILESC=CCC1(O)CCCCC1C(=O)C(=C)C
InChIInChI=1S/C13H20O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,11,15H,1-2,5-9H2,3H3
InChIKeyARJQFWKGJQDBQW-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
trans-(1S,2R)-2-diethoxyphosphoryl-1-prop-2-enylcyclohexan-1-ol
CID 23420153
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
cyclohexyl-(1-prop-2-enylcyclohexyl)methanone
CID 174667942
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256
trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 131856211
cis-ethyl (1R,2R)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
CID 102361777
cis-ethyl (1S,2S)-2-prop-1-en-2-yl-1-prop-2-enylcyclobutane-1-carboxylate
CID 10632182
cis-ethyl (1R,2R)-2-hydroxy-1-prop-2-enylcyclohexane-1-carboxylate
CID 101032729
2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
CID 134858730
trans-(1R,2R)-1-ethenyl-2-(1-tripropylsilylethenyl)cyclohexan-1-ol
CID 10881406
cis-(1S,2S)-1-(1-ethylsulfanylethenyl)-2-[(E)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol
CID 102289935

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one (CID 138975442) is 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one is C=CCC1(O)CCCCC1C(=O)C(=C)C.
What is the InChIKey of 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one?
The InChIKey is ARJQFWKGJQDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-8-13(15)9-6-5-7-11(13)12(14)10(2)3/h4,11,15H,1-2,5-9H2,3H3.
What are the key properties of 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one?
1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 138975442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).