Cas no 62444-16-0 (3-Decenoic acid, 3-hexyl-, (Z)-)
62444-16-0 structure
Product Name:3-Decenoic acid, 3-hexyl-, (Z)-
CAS No:62444-16-0
MF:C16H30O2
MW:254.408205509186
CID:444545
PubChem ID:53633386
Update Time:2025-04-19
3-Decenoic acid, 3-hexyl-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Decenoic acid, 3-hexyl-, (Z)-
- 3-hexyldec-3-enoic acid
- SCHEMBL10382685
- 62444-16-0
- DTXSID00705543
-
- Inchi： 1S/C16H30O2/c1-3-5-7-9-11-13-15(14-16(17)18)12-10-8-6-4-2/h13H,3-12,14H2,1-2H3,(H,17,18)
- InChI Key： ABAJZTNBADIDBN-UHFFFAOYSA-N
- SMILES： OC(CC(=CCCCCCC)CCCCCC)=O
Computed Properties
- Exact Mass: 254.2247
- Monoisotopic Mass: 254.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Decenoic acid, 3-hexyl-, (Z)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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