Cas no 25183-19-1 (Cyclohexanecarboxylicacid, 3-methylbutyl ester)
25183-19-1 structure
Product Name:Cyclohexanecarboxylicacid, 3-methylbutyl ester
CAS No:25183-19-1
MF:C12H22O2
MW:198.301884174347
CID:270041
PubChem ID:91326
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 3-methylbutyl ester
- isopentyl cyclohexanecarboxylate
- 3-methylbutyl cyclohexanecarboxylate
- DTXSID70179853
- Isopentyl cyclohexanecarboxylate #
- 2-PHENYL-OXAZOLE-4-CARBOXYLICACIDMETHYLESTER
- NX48U7GG2V
- UNII-NX48U7GG2V
- VLALRUKXGDUQFX-UHFFFAOYSA-N
- 25183-19-1
- AI3-33534
- Cyclohexanecarboxylic acid, 3-methylbutyl ester
- NS00027827
- EINECS 246-717-4
- CYCLOHEXANECARBOXYLIC ACID ISOAMYL ESTER
-
- Inchi： 1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
- InChI Key： VLALRUKXGDUQFX-UHFFFAOYSA-N
- SMILES： O(CCC(C)C)C(C1CCCCC1)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 169
- 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: 26.3?2
Experimental Properties
- PSA: 26.3
25183-19-1 (Cyclohexanecarboxylicacid, 3-methylbutyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 18268-70-7(3,6,9-Trioxaundecamethylenebis-(2-ethylhexanoate))
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
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