(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one

C11H16O — CID 14395464

IUPAC(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1(CC)C=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-3-7-11(4-2)8-5-10(12)6-9-11/h3,5,8H,1,4,6-7,9H2,2H3/t11-/m1/s1
InChIKeyWLQBXBKGVMGNKX-LLVKDONJSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds3

About (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one

(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 14395464) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID14395464
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@]1(CC)C=CC(=O)CC1
InChIInChI=1S/C11H16O/c1-3-7-11(4-2)8-5-10(12)6-9-11/h3,5,8H,1,4,6-7,9H2,2H3/t11-/m1/s1
InChIKeyWLQBXBKGVMGNKX-LLVKDONJSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dibutylcyclohex-2-en-1-one
CID 14836303
(1R)-4-oxo-1-prop-2-enylcyclohex-2-ene-1-carbonitrile
CID 13414219
3-ethenyl-4-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 14525737
4-methyl-4-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-en-1-one
CID 14939497
4,4-dimethoxycyclohex-2-en-1-one
CID 134922373
(4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-4-prop-2-enylcyclohex-2-en-1-one
CID 10813206
4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
6-methyl-6-prop-2-enylcyclohex-2-en-1-one
CID 13024680
5-ethyl-1-hydroxy-5-prop-2-enylpiperidin-2-one
CID 123724367
(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
CID 42643548
4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 11770519

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one (CID 14395464) is (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one is C=CC[C@]1(CC)C=CC(=O)CC1.
What is the InChIKey of (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is WLQBXBKGVMGNKX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O/c1-3-7-11(4-2)8-5-10(12)6-9-11/h3,5,8H,1,4,6-7,9H2,2H3/t11-/m1/s1.
What are the key properties of (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one?
(4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 14395464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).