Cas no 24427-77-8 (2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-)
24427-77-8 structure
Product Name:2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
CAS No:24427-77-8
MF:C13H20O3
MW:224.296104431152
CID:1420725
PubChem ID:5280654
Update Time:2025-04-20
2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-
- 4-hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
- AKOS032948823
- FEMA no. 4661
- 24427-77-8
- SCHEMBL4013839
- 1O6H4GI83P
- 4-(1-Hydroxy-4-keto-2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
- ACon1_002228
- Q27103586
- MEGxp0_000242
- 4-hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
- 4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
- 4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
- C04166
- (+/-)-6-Hydroxy-3-oxo-alpha-ionol
- 4-hydroxy-4-(3.xi.-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one
- SCHEMBL10931697
- CHEBI:28258
- 2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-buten-1-yl)-3,5,5-trimethyl-
- UNII-1O6H4GI83P
- 2-Cyclohexen-1-one-4-ol, 3,5,5-trimethyl, 4-(3-hydroxy-1-butenyl)
- NCGC00179700-01
-
- Inchi： 1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
- InChI Key： KPQMCAKZRXOZLB-AATRIKPKSA-N
- SMILES： OC1(/C=C/C(C)O)C(C)=CC(CC1(C)C)=O
Computed Properties
- Exact Mass: 224.1413
- Monoisotopic Mass: 224.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 352
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl- Related Literature
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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