3,3-Dimethyl-1-heptene
Basic information
- CAS
19549-89-4- Standard SMILES
C=CC(C)(C)CCCC- InChIKey
WETAFQBUDAJCAM-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-heptene
- IUPAC
- 3,3-dimethylhept-1-ene
- English name
- 3,3-DIMETHYL-1-HEPTENE
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
3,3-dimethyl-1-heptene19549-89-4DTXSID40329782RefChem:1065617DTXCID002808803,3-dimethylhept-1-ene3,3-dimethylheptene-1NSC1575733,3-dimethyl-1 -heptene3,3-dimethyl-hept-1-eneSCHEMBL546952SCHEMBL8391893
Show more names
1-Heptene, 3,3-dimethyl-
SCHEMBL8960724AKOS006271535NSC-157573
Database identifiers
- CAS
19549-89-4- PubChem CID
- 423787
- DTXSID
DTXSID40329782- Nikkaji
- J2.001.642F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -89.14 °C · -89.14°C (estimate)
- Boiling point
- 144.42 °C · 144.42°C (estimate)
- Density
- 0.752 · 0.7520 (estimate)
- refractive index
- 1.4124 · 1.4124 (estimate)
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Related reactions
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Compound notes
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