Basic information
- CAS
55620-96-7- Standard SMILES
CCC(C1=Cc2ccc(OC)cc2CC1)C(C)(C)C(=O)O- InChIKey
ZQVMDNVYGANWSS-UHFFFAOYSA-N- Molecular formula
- C18H24O3
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.17254462
Overview
non-steroidal antifertility agent; structure
Names & identifiers
- Preferred name
- 2-Naphthalenepropionic acid, 3,4-dihydro-alpha,alpha-dimethyl-beta-ethyl-6-methoxy-
- IUPAC
- 3-(6-methoxy-3,4-dihydronaphthalen-2-yl)-2,2-dimethylpentanoic acid
- English name
- E 696
- Molecular formula
- C18H24O3
- Molecular weight
- 288.38
Names & synonyms
55620-96-7Pentanoic acid, 2,2-dimethyl-3-(6-methoxy-3,4-dihydro-2-naphthyl)-E696E-6962-Naphthalenepropionic acid, 3,4-dihydro-alpha,alpha-dimethyl-beta-ethyl-6-methoxy-beta-Ethyl-3,4-dihydro-6-methoxy-alpha,alpha-dimethyl-2-naphthalenepropanoic acidRefChem:884813-(3,4-dihydro-6-methoxy-2-naphthyl)--2,2-dimethylpentanoic acid3-(3,4-dihydro-6-methoxy-2-naphthyl)-2,2-dimethyl pentanoic acid3-(6-methoxy-3,4-dihydronaphthalen-2-yl)-2,2-dimethylpentanoic acidBRN 2876980E 696
Show more names
3-[(3,4-Dihydro-6-methoxynaphthalen)-2-yl]-2,2-dimethylpentanoic acid2-Naphthalenepropanoic acid, β-ethyl-3,4-dihydro-6-methoxy-α,α-dimethyl-
alpha,alpha-Dimethyl-beta-ethyl-6-methoxy-3,4-dihydro-2-naphthalenepropionic acidDTXSID209709583-(3,4-dihydro-6-methoxy-2-naphthyl)-2,2-dimethylpentanoic acid
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Chemistry & industry
Suppliers1 total
上海有集材料有限公司13052376889 13681663468 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…