Cas no 854724-77-9 ((4,4,6-trimethyl-cyclohex-1-enyl)-methanol)
854724-77-9 structure
Product Name:(4,4,6-trimethyl-cyclohex-1-enyl)-methanol
CAS No:854724-77-9
MF:C10H18O
MW:154.249323368073
CID:2039250
PubChem ID:91750006
Update Time:2025-04-21
(4,4,6-trimethyl-cyclohex-1-enyl)-methanol Chemical and Physical Properties
Names and Identifiers
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- (4,4,6-trimethyl-cyclohex-1-enyl)-methanol
- beta-isocyclolavandulol
- .beta.-Isocyclolavandulol
- 854724-77-9
-
- Inchi： 1S/C10H18O/c1-8-6-10(2,3)5-4-9(8)7-11/h4,8,11H,5-7H2,1-3H3
- InChI Key： OEULXMGLLLUSOX-UHFFFAOYSA-N
- SMILES： CC1C(CO)=CCC(C)(C)C1
Computed Properties
- Exact Mass: 154.135765193Da
- Monoisotopic Mass: 154.135765193Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.697
- Topological Polar Surface Area: 20.2?2
(4,4,6-trimethyl-cyclohex-1-enyl)-methanol Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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