(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one

C16H24O2 — CID 52952530

IUPAC(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one
SMILESCC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O
InChIInChI=1S/C16H24O2/c1-12(2)7-9-16(10-8-13(3)4)11-14(17)5-6-15(16)18/h5-8,14,17H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyDHMJQJOXFBGZRW-AWEZNQCLSA-N
MW248.37 g/mol
LogP3.58
Rot. Bonds4

About (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one

(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one (PubChem CID 52952530) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one
PubChem CID52952530
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one
SMILESCC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O
InChIInChI=1S/C16H24O2/c1-12(2)7-9-16(10-8-13(3)4)11-14(17)5-6-15(16)18/h5-8,14,17H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyDHMJQJOXFBGZRW-AWEZNQCLSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.58
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

Dehydrovomifoliol
CID 688492
Vomifoliol, (+)-
CID 5280462
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
CID 5280662
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
(4S)-4-hydroxy-4-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 44584347
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
(3R,6R)-hydroxy-alpha-ionone
CID 10889124
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
Abscisic alcohol
CID 5282225
(3R,6R,7E,9E,11E)-3-Hydroxy-13-Apo-Alpha-Caroten-13-One
CID 11403096
(6R)-dehydrovomifoliol
CID 688494
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The IUPAC name of (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one (CID 52952530) is (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one.
What is the SMILES notation for (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The canonical SMILES for (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one is CC(C)=CCC1(CC=C(C)C)C[C@@H](O)C=CC1=O.
What is the InChIKey of (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one?
The InChIKey is DHMJQJOXFBGZRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)7-9-16(10-8-13(3)4)11-14(17)5-6-15(16)18/h5-8,14,17H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one?
(4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one is sourced from PubChem (CID 52952530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).