Cas no 402507-72-6 (6-Butoxy-6-oxohexyl 6-hydroxyhexanoate)
402507-72-6 structure
Product Name:6-Butoxy-6-oxohexyl 6-hydroxyhexanoate
CAS No:402507-72-6
MF:C16H30O5
MW:302.406405925751
CID:2621245
PubChem ID:71362280
Update Time:2025-04-21
6-Butoxy-6-oxohexyl 6-hydroxyhexanoate Chemical and Physical Properties
Names and Identifiers
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- DTXSID50785916
- 402507-72-6
- 6-BUTOXY-6-OXOHEXYL 6-HYDROXYHEXANOATE
- 6-Butoxy-6-oxohexyl 6-hydroxyhexanoate
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- Inchi： 1S/C16H30O5/c1-2-3-13-20-15(18)11-7-5-9-14-21-16(19)10-6-4-8-12-17/h17H,2-14H2,1H3
- InChI Key： LJCGFEUPWCEPMR-UHFFFAOYSA-N
- SMILES： O(C(CCCCCO)=O)CCCCCC(=O)OCCCC
Computed Properties
- Exact Mass: 302.20932405Da
- Monoisotopic Mass: 302.20932405Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 265
- 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: 2.6
- Topological Polar Surface Area: 72.8?2
6-Butoxy-6-oxohexyl 6-hydroxyhexanoate Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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