Cas no 630130-18-6 (Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester)
630130-18-6 structure
Product Name:Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
CAS No:630130-18-6
MF:C17H30O2
MW:266.418905735016
CID:427584
PubChem ID:6430798
Update Time:2025-04-19
Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
- 3,7-dimethylocta-1,6-dien-3-yl 3-methylhexanoate
- VCVSHHBNQWDSNK-UHFFFAOYSA-N
- DTXSID70424012
- 630130-18-6
- linalyl 3-methylhexanoate
-
- Inchi： 1S/C17H30O2/c1-7-10-15(5)13-16(18)19-17(6,8-2)12-9-11-14(3)4/h8,11,15H,2,7,9-10,12-13H2,1,3-6H3
- InChI Key： VCVSHHBNQWDSNK-UHFFFAOYSA-N
- SMILES： O(C(CC(C)CCC)=O)C(C=C)(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 266.2247
- Monoisotopic Mass: 266.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 313
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 5.04700
Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
630130-18-6 (Hexanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester) Related Products
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