Cas no 6290-39-7 (Heptyl 1-hydroxycyclohexane-1-carboxylate)
6290-39-7 structure
Product Name:Heptyl 1-hydroxycyclohexane-1-carboxylate
CAS No:6290-39-7
MF:C14H26O3
MW:242.354444980621
CID:1647784
PubChem ID:221700
Update Time:2025-04-21
Heptyl 1-hydroxycyclohexane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Heptyl 1-hydroxycyclohexane-1-carboxylate
- heptyl 1-hydroxycyclohexanecarboxylate
- NSC6662
- AC1L5AO2
- AC1Q675M
- CTK5B6616
- NSC-6662
- AR-1J1560
- AG-J-56730
- heptyl 1-hydroxycyclohexanecarboxylate;
- DTXSID20278224
- 6290-39-7
-
- Inchi： 1S/C14H26O3/c1-2-3-4-5-9-12-17-13(15)14(16)10-7-6-8-11-14/h16H,2-12H2,1H3
- InChI Key： LLFUKNUDNPITNF-UHFFFAOYSA-N
- SMILES： OC1(C(=O)OCCCCCCC)CCCCC1
Computed Properties
- Exact Mass: 242.18800
- Monoisotopic Mass: 242.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 3.19520
Heptyl 1-hydroxycyclohexane-1-carboxylate Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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