Propargyl 3,7,11-trimethyl-2,4-dodecadienoate

HCID 37852

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Basic information

CAS: 37882-31-8
Standard SMILES: C#CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C
InChIKey: FZRBKIRIBLNOAM-UHFFFAOYSA-N
Molecular formula: C18H28O2
Average molar mass: 276.4 g/mol
Monoisotopic mass: 276.20893013

Overview

See also: Prop-2-yn-1-yl 3,7,11-trimethyldodeca-2,4-dienoate (annotation moved to).

Names & identifiers

Preferred name: Propargyl 3,7,11-trimethyl-2,4-dodecadienoate
IUPAC: prop-2-ynyl 3,7,11-trimethyldodeca-2,4-dienoate

Names & synonyms

DTXSID50860595Propargyl 3,7,11-trimethyl-2,4-dodecadienoateRefChem:374870DTXCID20810168prop-2-ynyl 3,7,11-trimethyldodeca-2,4-dienoateZR 777SCHEMBL2233054PROP-2-YN-1-YL 3,7,11-TRIMETHYLDODECA-2,4-DIENOATE2,4-Dodecadienoic acid, 3,7,11-trimethyl-, 2-propyn-1-yl ester

Database identifiers

CAS: 37882-31-8
PubChem CID: 37852
DTXSID: DTXSID50860595

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 20
Formal charge: 0
Complexity: 379

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