Basic information
- CAS
1541-33-9- Standard SMILES
C=CCC(C)C=C- InChIKey
JXENLILXUMZMFC-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- 1,5-Hexadiene, 3-methyl-
- IUPAC
- 3-methylhexa-1,5-diene
- English name
- 3-METHYL-1,5-HEXADIENE
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
1541-33-91,5-Hexadiene, 3-methyl-RefChem:10534673-Methyl-1,5-hexadiene3-methylhexa-1,5-diene1,5-Hexadiene,3-methyl-NSC93809SCHEMBL675611SCHEMBL6014025SCHEMBL6014028SCHEMBL7874506JXENLILXUMZMFC-UHFFFAOYSA-N
Show more names
DTXSID301376922NSC 93809NSC-93809AKOS006282833InChI=1/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H
Database identifiers
- CAS
1541-33-9- PubChem CID
- 137073
- DTXSID
DTXSID301376922- Nikkaji
- J121.078E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.4
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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