3,3,4-Trimethylpent-1-ene

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Basic information

CAS: 560-22-5
Standard SMILES: C=CC(C)(C)C(C)C
InChIKey: LLFHCOGPDCJMKY-UHFFFAOYSA-N
Molecular formula: C8H16
Average molar mass: 112.21 g/mol
Monoisotopic mass: 112.12520051

Names & identifiers

Preferred name: 3,3,4-Trimethylpent-1-ene
IUPAC: 3,3,4-trimethylpent-1-ene

Names & synonyms

3,3,4-Trimethylpent-1-ene560-22-5DTXSID20334713RefChem:1065567DTXCID702858023,3,4-TRIMETHYL-1-PENTENE3,3,4-TrimethylpenteneSCHEMBL1285113SCHEMBL3551719SCHEMBL5201621SCHEMBL87823921-Pentene, 3,3,4-trimethyl-

Database identifiers

CAS: 560-22-5
PubChem CID: 521709
DTXSID: DTXSID20334713

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 78

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Related reactions

2 records

New reaction record

HRID 586141As reactantuspto-grants-2005_08

HRID 1152259As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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