4-Methylpentan-2-yl formate
Basic information
- CAS
5332-86-5- Standard SMILES
CC(C)CC(C)OC=O- InChIKey
VJKXDWCVZONWBR-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 4-Methylpentan-2-yl formate
- IUPAC
- 4-methylpentan-2-yl formate
Names & synonyms
4-methylpentan-2-yl formate5332-86-5DTXSID50277048RefChem:294629DTXCID60228208NSC-566NSC566FT4HNT32GU1,3-Dimethylbutyl formateSCHEMBL104642SCHEMBL1046432-Pentanol, 4-methyl-, formate
Show more names
2-Pentanol, 4-methyl-, 2-formate4-METHYL-2-PENTANOL, FORMATEFormic acid, 4-methylpent-2-yl ester
Database identifiers
- CAS
5332-86-5- PubChem CID
- 219360
- DTXSID
DTXSID50277048- UNII
- FT4HNT32GU
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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