Cas no 54846-69-4 (3-Cyclopentene-1-carboxylic acid, 1,2,2-trimethyl-, methyl ester, (R)-)
54846-69-4 structure
Product Name:3-Cyclopentene-1-carboxylic acid, 1,2,2-trimethyl-, methyl ester, (R)-
CAS No:54846-69-4
MF:C10H16O2
MW:168.232843399048
CID:353520
PubChem ID:10725784
Update Time:2025-04-19
3-Cyclopentene-1-carboxylic acid, 1,2,2-trimethyl-, methyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cyclopentene-1-carboxylic acid, 1,2,2-trimethyl-, methyl ester, (R)-
- methyl (1R)-1,2,2-trimethylcyclopent-3-ene-1-carboxylate
- 54846-69-4
- DTXSID30443946
-
- Inchi： 1S/C10H16O2/c1-9(2)6-5-7-10(9,3)8(11)12-4/h5-6H,7H2,1-4H3/t10-/m0/s1
- InChI Key： PNJAQXKDFUBBTI-JTQLQIEISA-N
- SMILES： O(C)C([C@]1(C)CC=CC1(C)C)=O
Computed Properties
- Exact Mass: 168.11508
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 2.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 2.15180
3-Cyclopentene-1-carboxylic acid, 1,2,2-trimethyl-, methyl ester, (R)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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